#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hfw s PRO 5 N 0.00 2.74 -0.37 3.23 0.04 -1.26 -4.61 135.00 134.76 1hfw s PRO 5 Ca 0.00 1.13 -0.15 0.00 0.04 0.00 0.00 61.00 62.02 1hfw s PRO 5 Cb 0.00 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1hfw s PRO 5 CO 0.00 -1.27 0.33 -0.80 0.04 0.00 0.00 177.00 175.31 1hfw s ASN 6 N -3.33 6.14 -0.07 6.66 0.01 -1.26 -1.12 114.94 121.97 1hfw s ASN 6 Ca 0.61 -0.52 0.05 0.00 -0.71 0.00 0.00 52.86 52.29 1hfw s ASN 6 Cb -0.16 -2.18 -0.01 0.00 0.41 0.00 0.00 41.25 39.30 1hfw s ASN 6 CO 0.51 -0.39 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.86 1hfw s ILE 7 N 1.90 2.37 -0.15 0.60 -1.09 -0.58 -0.93 121.20 123.32 1hfw s ILE 7 Ca 0.09 -0.94 -0.04 0.00 -2.23 0.00 0.00 60.65 57.53 1hfw s ILE 7 Cb -0.17 -1.90 -0.03 0.00 -1.58 0.00 0.00 42.46 38.78 1hfw s ILE 7 CO 0.11 0.57 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.68 1hfw s VAL 8 N -0.13 4.04 -0.38 2.92 1.01 -1.01 -1.98 120.40 124.87 1hfw s VAL 8 Ca -0.04 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 1hfw s VAL 8 Cb -0.14 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1hfw s VAL 8 CO 0.04 0.51 0.23 -0.63 0.00 0.00 0.00 175.10 175.24 1hfw s ILE 9 N 0.17 4.78 -0.33 2.22 1.01 0.27 -1.19 121.20 128.13 1hfw s ILE 9 Ca -0.01 -0.75 -0.12 0.00 0.00 0.00 0.00 60.65 59.77 1hfw s ILE 9 Cb -0.13 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 1hfw s ILE 9 CO 0.02 -0.22 0.23 -0.22 0.00 0.00 0.00 174.94 174.75 1hfw s LEU 10 N 1.60 4.42 -0.11 2.97 2.96 0.41 -0.79 118.68 130.15 1hfw s LEU 10 Ca 0.03 -0.33 -0.13 0.00 -0.22 0.00 0.00 54.13 53.47 1hfw s LEU 10 Cb -0.19 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 1hfw s LEU 10 CO 0.08 -0.20 0.32 0.00 -1.32 0.00 0.00 176.35 175.23 1hfw s ALA 11 N 1.73 3.66 0.00 5.97 0.00 0.10 -1.75 121.76 131.46 1hfw s ALA 11 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1hfw s ALA 11 Cb -0.17 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.61 1hfw s ALA 11 CO 0.11 0.28 0.00 0.25 0.00 0.00 0.00 175.76 176.39 1hfw n THR 12 N 2.84 0.00 -0.53 0.00 -2.24 -0.92 -0.57 114.28 112.86 1hfw n THR 12 Ca -0.13 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1hfw n THR 12 Cb 0.52 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 1hfw n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hfw n GLY 13 N 2.25 0.53 0.00 3.38 0.00 -1.25 -1.91 105.19 108.20 1hfw n GLY 13 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1hfw n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hfw n GLY 14 N 0.00 0.09 0.00 -0.02 0.00 -1.19 -3.74 105.19 100.33 1hfw n GLY 14 Ca 0.00 -1.61 0.14 0.00 0.00 0.00 0.00 46.02 44.54 1hfw n GLY 14 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1hfw n THR 15 N 0.41 0.00 -0.16 2.61 5.66 -1.26 -4.90 114.28 116.64 1hfw n THR 15 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 1hfw n THR 15 Cb 0.00 -0.58 0.07 0.00 -1.55 0.00 0.00 70.33 68.27 1hfw n THR 15 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 175.07 171.73 1hfw h ILE 16 N 0.00 1.26 -6.39 1.09 2.10 -1.83 -3.17 117.51 110.57 1hfw h ILE 16 Ca 0.00 -1.18 -0.36 0.00 1.08 0.00 0.00 64.86 64.41 1hfw h ILE 16 Cb 0.00 0.92 0.01 0.00 -1.09 0.00 0.00 36.82 36.66 1hfw h ILE 16 CO 0.00 0.42 -0.93 0.61 -1.08 0.00 0.00 178.15 177.17 1hfw n GLY 35 N -0.41 -0.90 0.16 8.18 0.00 -1.26 -4.66 105.19 106.30 1hfw n GLY 35 Ca 0.02 0.79 -0.00 0.00 0.00 0.00 0.00 46.02 46.83 1hfw n GLY 35 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1hfw h VAL 36 N 0.65 1.37 0.00 1.61 3.04 -1.98 -2.71 116.25 118.23 1hfw h VAL 36 Ca -0.48 -1.76 0.00 0.00 -1.01 0.00 0.00 66.70 63.45 1hfw h VAL 36 Cb 1.32 1.93 0.00 0.00 -2.01 0.00 0.00 31.29 32.52 1hfw h VAL 36 CO 0.31 0.51 -0.03 0.44 -1.01 0.00 0.00 177.57 177.78 1hfw h ASP 37 N 0.04 0.00 -0.18 3.17 5.19 -1.98 -2.57 116.42 120.09 1hfw h ASP 37 Ca -0.00 -0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.23 1hfw h ASP 37 Cb 0.92 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.43 1hfw h ASP 37 CO 0.07 0.00 -0.52 0.74 -3.12 0.00 0.00 179.24 176.41 1hfw h THR 38 N 0.00 1.29 -0.47 0.35 2.02 -1.92 -1.26 112.91 112.92 1hfw h THR 38 Ca 0.00 -1.72 -0.14 0.00 0.77 0.00 0.00 66.41 65.32 1hfw h THR 38 Cb 0.90 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.93 1hfw h THR 38 CO 0.00 0.55 -0.24 0.25 0.37 0.00 0.00 175.52 176.46 1hfw h LEU 39 N 0.60 1.02 -0.86 2.58 5.85 -1.41 -1.65 115.31 121.44 1hfw h LEU 39 Ca 0.02 -0.40 -0.07 0.00 0.84 0.00 0.00 57.88 58.27 1hfw h LEU 39 Cb 1.10 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1hfw h LEU 39 CO 0.11 1.20 0.05 0.40 -0.34 0.00 0.00 178.44 179.86 1hfw h ILE 40 N 0.85 1.25 0.00 4.05 2.04 -1.30 -1.87 117.51 122.53 1hfw h ILE 40 Ca 0.10 -0.99 -0.07 0.00 1.00 0.00 0.00 64.86 64.90 1hfw h ILE 40 Cb 0.82 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1hfw h ILE 40 CO 0.07 0.36 -0.35 0.78 0.00 0.00 0.00 178.15 179.01 1hfw h ASN 41 N 0.84 0.00 0.15 1.72 2.35 -1.09 -3.07 115.58 116.48 1hfw h ASN 41 Ca 0.17 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.74 1hfw h ASN 41 Cb 0.43 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 1hfw h ASN 41 CO 0.01 0.35 -0.67 0.00 -1.65 0.00 0.00 177.43 175.48 1hfw h ALA 42 N 1.65 0.62 -2.53 -0.83 0.00 -0.63 -3.35 119.26 114.18 1hfw h ALA 42 Ca -0.00 -0.57 -0.60 0.00 0.00 0.00 0.00 54.91 53.73 1hfw h ALA 42 Cb 0.94 -0.06 -0.41 0.00 0.00 0.00 0.00 17.79 18.25 1hfw h ALA 42 CO 0.05 0.73 -0.68 1.55 0.00 0.00 0.00 179.25 180.90 1hfw n VAL 43 N -3.89 1.42 0.60 0.00 3.14 -0.77 -4.93 118.33 113.90 1hfw n VAL 43 Ca -0.04 -4.79 0.06 0.00 -2.96 0.00 0.00 64.34 56.61 1hfw n VAL 43 Cb 0.67 -2.08 0.31 0.00 -1.06 0.00 0.00 33.84 31.69 1hfw n VAL 43 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1hfw n PRO 44 N 1.53 0.20 0.24 1.45 -0.04 -1.19 -3.02 135.00 134.17 1hfw n PRO 44 Ca 0.25 0.15 0.08 0.00 -0.04 0.00 0.00 63.50 63.94 1hfw n PRO 44 Cb 0.41 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 32.95 1hfw n PRO 44 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1hfw h GLU 45 N 0.00 0.00 0.00 0.54 3.07 -1.91 -2.78 114.58 113.50 1hfw h GLU 45 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1hfw h GLU 45 Cb 0.10 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1hfw h GLU 45 CO 0.00 0.16 -0.02 -0.39 -1.40 0.00 0.00 179.01 177.36 1hfw h VAL 46 N 0.00 0.23 0.00 3.13 -1.51 -1.90 -2.16 116.25 114.05 1hfw h VAL 46 Ca -0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 1hfw h VAL 46 Cb 0.32 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1hfw h VAL 46 CO 0.02 0.02 0.00 0.29 -1.23 0.00 0.00 177.57 176.67 1hfw n LYS 47 N -3.38 0.04 0.01 5.19 5.02 -1.05 -1.70 118.16 122.28 1hfw n LYS 47 Ca -0.02 0.16 0.11 0.00 -2.02 0.00 0.00 58.31 56.54 1hfw n LYS 47 Cb 0.12 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.70 1hfw n LYS 47 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1hfw n LYS 48 N -1.47 0.07 -0.06 1.97 4.01 -0.81 -4.10 118.16 117.76 1hfw n LYS 48 Ca 0.05 -0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.80 1hfw n LYS 48 Cb 0.22 -1.52 -0.15 0.00 -0.51 0.00 0.00 35.03 33.06 1hfw n LYS 48 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1hfw n LEU 49 N -1.61 0.17 -3.71 -0.35 4.77 -0.69 -5.06 117.00 110.52 1hfw n LEU 49 Ca 0.04 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1hfw n LEU 49 Cb 0.36 0.33 -0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1hfw n LEU 49 CO 0.39 0.36 0.99 0.00 -1.33 0.00 0.00 177.39 177.80 1hfw s ALA 50 N -2.73 -2.12 -0.52 -1.18 0.00 -0.95 -4.48 121.76 109.78 1hfw s ALA 50 Ca -0.08 0.44 -0.23 0.00 0.00 0.00 0.00 51.96 52.09 1hfw s ALA 50 Cb 0.08 0.50 0.04 0.00 0.00 0.00 0.00 23.12 23.74 1hfw s ALA 50 CO 0.84 -1.07 0.85 -0.80 0.00 0.00 0.00 175.76 175.59 1hfw s ASN 51 N -3.10 6.33 0.11 0.00 0.01 -0.27 -4.32 114.94 113.69 1hfw s ASN 51 Ca 0.16 -0.41 0.01 0.00 -0.71 0.00 0.00 52.86 51.91 1hfw s ASN 51 Cb 0.03 -2.40 -0.04 0.00 0.41 0.00 0.00 41.25 39.25 1hfw s ASN 51 CO -0.02 -1.10 0.26 0.68 -1.51 0.00 0.00 177.10 175.41 1hfw s VAL 52 N 3.57 5.34 -0.11 1.60 -7.23 -1.26 -1.53 120.40 120.79 1hfw s VAL 52 Ca 0.27 -0.47 -0.05 0.00 -1.81 0.00 0.00 61.98 59.93 1hfw s VAL 52 Cb -0.14 -3.68 0.05 0.00 0.56 0.00 0.00 36.38 33.18 1hfw s VAL 52 CO 0.19 0.03 0.24 -0.75 -0.31 0.00 0.00 175.10 174.50 1hfw s LYS 53 N -2.83 0.18 0.06 4.82 2.20 -0.84 -4.98 119.74 118.36 1hfw s LYS 53 Ca 0.35 0.56 0.00 0.00 -0.36 0.00 0.00 55.97 56.53 1hfw s LYS 53 Cb -0.12 -0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.05 1hfw s LYS 53 CO 0.28 -0.19 0.21 0.20 -0.36 0.00 0.00 175.35 175.49 1hfw s GLY 54 N 1.51 2.17 -0.03 5.54 0.00 -1.26 -0.56 107.32 114.68 1hfw s GLY 54 Ca -0.07 -0.85 -0.01 0.00 0.00 0.00 0.00 44.72 43.79 1hfw s GLY 54 CO -0.08 -0.83 0.05 1.85 0.00 0.00 0.00 173.10 174.09 1hfw s GLU 55 N -2.54 -0.03 -0.58 2.90 2.12 0.03 -4.92 118.70 115.68 1hfw s GLU 55 Ca 0.35 0.26 -0.21 0.00 0.36 0.00 0.00 54.97 55.73 1hfw s GLU 55 Cb -0.13 -0.28 0.08 0.00 0.26 0.00 0.00 34.13 34.06 1hfw s GLU 55 CO 0.28 -0.20 0.78 -1.14 -0.54 0.00 0.00 175.26 174.45 1hfw s GLN 56 N 1.30 3.12 -0.05 4.30 2.00 -1.26 -0.72 119.66 128.34 1hfw s GLN 56 Ca -0.07 -0.95 -0.19 0.00 -2.00 0.00 0.00 55.36 52.15 1hfw s GLN 56 Cb -0.13 -4.19 -0.31 0.00 0.80 0.00 0.00 33.01 29.19 1hfw s GLN 56 CO -0.03 -1.53 0.82 0.35 -0.50 0.00 0.00 175.29 174.39 1hfw h PHE 57 N 9.26 0.59 -2.74 1.67 3.57 -1.19 -3.48 116.94 124.62 1hfw h PHE 57 Ca -0.28 -0.43 0.01 0.00 3.53 0.00 0.00 57.97 60.80 1hfw h PHE 57 Cb 1.08 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1hfw h PHE 57 CO 0.86 1.42 0.28 -1.13 -2.23 0.00 0.00 178.31 177.51 1hfw n SER 58 N -4.00 -1.83 -2.91 0.41 3.41 -0.82 -5.00 113.62 102.88 1hfw n SER 58 Ca -0.17 -2.21 -0.11 0.00 -0.26 0.00 0.00 58.87 56.12 1hfw n SER 58 Cb 0.89 3.03 -0.01 0.00 -0.26 0.00 0.00 64.21 67.86 1hfw n SER 58 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1hfw n ASN 59 N -1.39 -2.55 -4.09 4.04 5.15 -1.07 -3.87 115.26 111.48 1hfw n ASN 59 Ca -0.06 -2.87 -0.08 0.00 -0.60 0.00 0.00 54.58 50.96 1hfw n ASN 59 Cb 0.49 1.17 -0.10 0.00 -0.53 0.00 0.00 39.78 40.81 1hfw n ASN 59 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1hfw s MET 60 N 0.55 0.78 0.32 1.20 0.23 -0.80 -4.92 119.30 116.65 1hfw s MET 60 Ca 0.31 -1.28 -0.28 0.00 -1.03 0.00 0.00 55.69 53.41 1hfw s MET 60 Cb 0.06 0.24 -0.10 0.00 -1.53 0.00 0.00 34.83 33.51 1hfw s MET 60 CO -0.12 -0.20 1.16 0.00 -2.03 0.00 0.00 175.02 173.83 1hfw s ALA 61 N -3.97 3.37 0.62 3.16 0.00 -1.26 -3.20 121.76 120.49 1hfw s ALA 61 Ca 0.14 0.99 0.36 0.00 0.00 0.00 0.00 51.96 53.45 1hfw s ALA 61 Cb 0.07 -3.37 2.08 0.00 0.00 0.00 0.00 23.12 21.91 1hfw s ALA 61 CO -0.05 -0.34 2.31 0.66 0.00 0.00 0.00 175.76 178.34 1hfw h SER 62 N 3.46 0.00 0.51 0.00 4.64 -1.94 -0.52 113.55 119.70 1hfw h SER 62 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1hfw h SER 62 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1hfw h SER 62 CO 0.66 0.00 0.00 1.05 -0.87 0.00 0.00 176.83 177.67 1hfw h GLU 63 N 0.00 0.00 -0.39 4.77 9.09 -1.94 -1.78 114.58 124.33 1hfw h GLU 63 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1hfw h GLU 63 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1hfw h GLU 63 CO 0.00 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.15 1hfw n ASN 64 N -2.53 3.36 -4.74 3.06 3.02 -0.20 -4.95 115.26 112.27 1hfw n ASN 64 Ca 0.00 -1.95 -0.41 0.00 -0.03 0.00 0.00 54.58 52.19 1hfw n ASN 64 Cb 0.18 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 1hfw n ASN 64 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1hfw s MET 65 N -1.34 4.41 0.25 3.52 1.75 -0.67 -5.00 119.30 122.22 1hfw s MET 65 Ca 0.36 2.03 0.11 0.00 -1.25 0.00 0.00 55.69 56.94 1hfw s MET 65 Cb 0.21 -3.19 -0.05 0.00 2.84 0.00 0.00 34.83 34.64 1hfw s MET 65 CO 0.29 -0.20 -0.20 0.95 -0.65 0.00 0.00 175.02 175.21 1hfw s THR 66 N -0.07 2.34 0.28 10.11 -4.23 -1.26 -5.03 115.64 117.77 1hfw s THR 66 Ca 0.55 -2.27 0.02 0.00 -1.18 0.00 0.00 61.69 58.81 1hfw s THR 66 Cb -0.36 -2.21 0.27 0.00 1.34 0.00 0.00 72.50 71.55 1hfw s THR 66 CO 0.39 -0.34 1.78 1.23 -0.54 0.00 0.00 174.62 177.14 1hfw h GLY 67 N 2.58 1.60 1.61 3.99 0.00 -1.99 -0.26 103.07 110.60 1hfw h GLY 67 Ca -0.41 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 46.54 1hfw h GLY 67 CO 0.57 -0.00 0.04 1.29 0.00 0.00 0.00 176.54 178.44 1hfw h ASP 68 N 0.77 0.46 -0.09 0.19 2.03 -1.96 -0.25 116.42 117.56 1hfw h ASP 68 Ca 0.51 -0.07 -0.18 0.00 -0.73 0.00 0.00 57.03 56.56 1hfw h ASP 68 Cb 0.71 -0.12 0.01 0.00 -0.83 0.00 0.00 39.33 39.10 1hfw h ASP 68 CO -0.35 0.50 -0.65 0.58 -1.03 0.00 0.00 179.24 178.30 1hfw h VAL 69 N 0.49 1.34 -0.10 4.15 2.07 -1.51 -2.86 116.25 119.82 1hfw h VAL 69 Ca 0.11 -1.94 -0.04 0.00 0.82 0.00 0.00 66.70 65.65 1hfw h VAL 69 Cb 0.26 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1hfw h VAL 69 CO 0.00 0.59 -0.14 0.58 0.02 0.00 0.00 177.57 178.63 1hfw h VAL 70 N 0.23 1.15 -0.46 2.57 2.07 -0.89 -0.98 116.25 119.95 1hfw h VAL 70 Ca -0.05 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 1hfw h VAL 70 Cb 1.30 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 1hfw h VAL 70 CO 0.13 0.21 0.13 0.25 0.02 0.00 0.00 177.57 178.31 1hfw h LEU 71 N 0.15 0.68 -0.87 2.57 6.46 -0.97 -1.47 115.31 121.86 1hfw h LEU 71 Ca 0.03 -0.22 -0.11 0.00 -0.12 0.00 0.00 57.88 57.46 1hfw h LEU 71 Cb 0.33 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 1hfw h LEU 71 CO 0.02 0.72 -0.36 0.11 -0.62 0.00 0.00 178.44 178.31 1hfw h LYS 72 N 0.61 0.39 -0.47 1.25 6.56 -1.19 -2.47 116.57 121.25 1hfw h LYS 72 Ca 0.15 -0.18 -0.04 0.00 -1.06 0.00 0.00 60.65 59.51 1hfw h LYS 72 Cb 0.29 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.93 1hfw h LYS 72 CO -0.00 0.70 0.12 1.25 -2.06 0.00 0.00 179.45 179.47 1hfw h LEU 73 N 0.33 0.70 -0.58 2.94 5.85 -0.85 -1.54 115.31 122.17 1hfw h LEU 73 Ca 0.04 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1hfw h LEU 73 Cb 0.80 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1hfw h LEU 73 CO 0.06 0.75 0.24 -1.28 -0.34 0.00 0.00 178.44 177.87 1hfw h SER 74 N 0.63 0.79 -0.58 1.25 0.87 -1.12 -1.51 113.55 113.88 1hfw h SER 74 Ca 0.15 -0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.48 1hfw h SER 74 Cb 0.31 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 1hfw h SER 74 CO -0.00 0.74 0.15 1.56 -0.53 0.00 0.00 176.83 178.75 1hfw h GLN 75 N 0.79 0.96 -0.48 2.24 4.20 -1.29 -1.52 115.11 120.02 1hfw h GLN 75 Ca 0.19 -0.21 -0.12 0.00 0.06 0.00 0.00 58.65 58.57 1hfw h GLN 75 Cb 0.19 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1hfw h GLN 75 CO -0.02 0.85 -0.17 -0.09 -0.67 0.00 0.00 178.83 178.74 1hfw h ARG 76 N 0.92 0.96 -0.45 1.46 9.65 -1.01 -2.21 114.38 123.70 1hfw h ARG 76 Ca 0.20 -0.39 -0.13 0.00 -1.10 0.00 0.00 59.98 58.55 1hfw h ARG 76 Cb 0.33 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 1hfw h ARG 76 CO -0.00 1.06 -0.23 0.28 2.80 0.00 0.00 179.97 183.87 1hfw h VAL 77 N 0.81 1.27 -0.79 0.20 2.07 -1.06 -0.91 116.25 117.84 1hfw h VAL 77 Ca 0.11 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 1hfw h VAL 77 Cb 0.74 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1hfw h VAL 77 CO 0.06 0.48 0.42 0.78 0.02 0.00 0.00 177.57 179.32 1hfw h ASN 78 N 0.81 1.00 -0.33 0.57 2.35 -1.20 -1.02 115.58 117.75 1hfw h ASN 78 Ca 0.10 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1hfw h ASN 78 Cb 0.80 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1hfw h ASN 78 CO 0.07 0.81 0.10 -0.08 -1.65 0.00 0.00 177.43 176.69 1hfw h GLU 79 N 1.11 0.52 -0.25 0.81 4.81 -1.03 -2.99 114.58 117.56 1hfw h GLU 79 Ca 0.28 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 1hfw h GLU 79 Cb 0.05 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1hfw h GLU 79 CO -0.04 0.55 -0.07 -0.07 -0.73 0.00 0.00 179.01 178.65 1hfw h LEU 80 N 0.38 0.50 0.00 1.64 3.38 -0.83 -3.10 115.31 117.28 1hfw h LEU 80 Ca 0.11 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1hfw h LEU 80 Cb 0.25 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1hfw h LEU 80 CO -0.00 0.76 0.00 0.18 0.09 0.00 0.00 178.44 179.47 1hfw n LEU 81 N -4.54 0.00 0.10 1.67 4.77 -0.42 -2.11 117.00 116.48 1hfw n LEU 81 Ca -0.04 0.46 0.13 0.00 -0.03 0.00 0.00 56.01 56.53 1hfw n LEU 81 Cb 0.31 -0.46 0.32 0.00 -2.33 0.00 0.00 43.42 41.26 1hfw n LEU 81 CO 0.39 -0.27 0.74 0.00 -1.33 0.00 0.00 177.39 176.92 1hfw h ALA 82 N 2.44 0.89 -2.30 -1.18 0.00 -1.44 -3.47 119.26 114.20 1hfw h ALA 82 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1hfw h ALA 82 Cb 0.19 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.02 1hfw h ALA 82 CO 0.00 0.00 0.38 1.03 0.00 0.00 0.00 179.25 180.66 1hfw s ARG 83 N -3.13 3.53 0.18 0.00 0.52 -0.90 -4.98 118.95 114.18 1hfw s ARG 83 Ca 0.09 1.12 -0.04 0.00 -0.52 0.00 0.00 55.73 56.38 1hfw s ARG 83 Cb 0.12 -2.07 0.07 0.00 0.52 0.00 0.00 34.95 33.59 1hfw s ARG 83 CO 0.64 -0.63 1.47 -0.44 0.02 0.00 0.00 175.30 176.36 1hfw h ASP 84 N 0.59 0.63 -0.23 0.23 5.19 -1.90 -3.28 116.42 117.66 1hfw h ASP 84 Ca -0.47 -0.36 0.00 0.00 -0.62 0.00 0.00 57.03 55.58 1hfw h ASP 84 Cb 1.21 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.54 1hfw h ASP 84 CO 0.59 1.09 0.00 -0.90 -3.12 0.00 0.00 179.24 176.89 1hfw n ASP 85 N -3.93 2.80 -3.88 6.45 5.75 -1.26 -4.74 116.55 117.73 1hfw n ASP 85 Ca -0.04 -2.35 -0.29 0.00 -0.01 0.00 0.00 54.79 52.10 1hfw n ASP 85 Cb 0.64 -0.55 -0.16 0.00 -1.03 0.00 0.00 41.12 40.02 1hfw n ASP 85 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1hfw s VAL 86 N -1.70 1.21 -0.14 2.12 1.01 -1.24 -4.76 120.40 116.91 1hfw s VAL 86 Ca 0.22 -0.95 0.17 0.00 0.00 0.00 0.00 61.98 61.42 1hfw s VAL 86 Cb 0.16 -1.52 -0.11 0.00 0.00 0.00 0.00 36.38 34.91 1hfw s VAL 86 CO 0.07 -0.08 0.88 0.44 0.00 0.00 0.00 175.10 176.40 1hfw h ASP 87 N 8.05 0.00 -5.10 3.32 3.32 -1.33 -3.46 116.42 121.23 1hfw h ASP 87 Ca -0.19 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.06 1hfw h ASP 87 Cb 1.09 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.52 1hfw h ASP 87 CO 0.39 0.50 0.59 -0.83 -1.72 0.00 0.00 179.24 178.17 1hfw s GLY 88 N -4.72 -0.34 -0.02 2.75 0.00 -1.17 -4.25 107.32 99.56 1hfw s GLY 88 Ca -0.02 0.64 0.02 0.00 0.00 0.00 0.00 44.72 45.36 1hfw s GLY 88 CO 0.81 0.17 -0.07 0.14 0.00 0.00 0.00 173.10 174.15 1hfw s VAL 89 N -2.99 0.66 -0.12 1.40 1.01 -0.73 -2.42 120.40 117.21 1hfw s VAL 89 Ca 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1hfw s VAL 89 Cb -0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.77 1hfw s VAL 89 CO -0.03 0.21 -0.14 -0.69 0.00 0.00 0.00 175.10 174.45 1hfw s VAL 90 N 0.24 2.95 -0.19 2.92 1.01 -0.33 -1.04 120.40 125.96 1hfw s VAL 90 Ca -0.03 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1hfw s VAL 90 Cb -0.08 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.08 1hfw s VAL 90 CO 0.00 0.53 -0.14 -0.63 0.00 0.00 0.00 175.10 174.86 1hfw s ILE 91 N 0.30 2.57 0.04 2.22 1.01 0.60 -0.44 121.20 127.50 1hfw s ILE 91 Ca -0.11 -0.77 -0.24 0.00 0.00 0.00 0.00 60.65 59.54 1hfw s ILE 91 Cb -0.16 -2.12 -0.06 0.00 0.01 0.00 0.00 42.46 40.13 1hfw s ILE 91 CO 0.06 0.50 0.72 0.42 0.00 0.00 0.00 174.94 176.64 1hfw s THR 92 N 1.34 4.76 0.13 2.92 -4.23 -0.72 -0.91 115.64 118.94 1hfw s THR 92 Ca 0.05 1.53 -0.13 0.00 -1.18 0.00 0.00 61.69 61.96 1hfw s THR 92 Cb -0.14 -4.07 0.02 0.00 1.34 0.00 0.00 72.50 69.65 1hfw s THR 92 CO -0.09 0.39 0.34 -2.28 -0.54 0.00 0.00 174.62 172.44 1hfw s HIS 93 N -0.15 0.02 0.56 3.99 5.04 -0.88 -2.16 115.29 121.71 1hfw s HIS 93 Ca 0.36 -0.38 -0.16 0.00 -1.54 0.00 0.00 55.06 53.34 1hfw s HIS 93 Cb -0.20 0.13 -0.06 0.00 0.04 0.00 0.00 32.58 32.50 1hfw s HIS 93 CO 0.22 -0.70 1.03 0.20 -2.34 0.00 0.00 174.74 173.15 1hfw s GLY 94 N -2.86 2.13 0.21 1.59 0.00 -1.26 -4.40 107.32 102.72 1hfw s GLY 94 Ca 0.07 0.33 0.02 0.00 0.00 0.00 0.00 44.72 45.14 1hfw s GLY 94 CO -0.08 0.63 1.50 -0.91 0.00 0.00 0.00 173.10 174.24 1hfw h THR 95 N 0.69 1.39 -0.89 0.90 1.35 -1.95 -3.21 112.91 111.18 1hfw h THR 95 Ca -0.47 -2.07 0.14 0.00 -0.55 0.00 0.00 66.41 63.46 1hfw h THR 95 Cb 1.21 2.05 -0.09 0.00 -1.73 0.00 0.00 68.15 69.59 1hfw h THR 95 CO 0.59 0.62 0.50 0.44 -0.25 0.00 0.00 175.52 177.41 1hfw h ASP 96 N 0.23 0.64 0.00 5.36 3.32 -1.94 -3.15 116.42 120.89 1hfw h ASP 96 Ca -0.02 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1hfw h ASP 96 Cb 1.21 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1hfw h ASP 96 CO 0.11 0.29 -0.20 0.35 -1.72 0.00 0.00 179.24 178.07 1hfw n THR 97 N -4.80 1.37 0.25 0.35 -2.24 -1.26 -4.75 114.28 103.20 1hfw n THR 97 Ca 0.18 -1.72 0.08 0.00 -2.27 0.00 0.00 64.05 60.32 1hfw n THR 97 Cb 0.43 -0.01 0.63 0.00 -2.10 0.00 0.00 70.33 69.28 1hfw n THR 97 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1hfw h VAL 98 N 2.09 0.97 0.00 2.28 3.04 -1.54 -0.95 116.25 122.14 1hfw h VAL 98 Ca -0.01 -0.18 -0.05 0.00 -1.01 0.00 0.00 66.70 65.46 1hfw h VAL 98 Cb 1.13 1.10 -0.01 0.00 -2.01 0.00 0.00 31.29 31.50 1hfw h VAL 98 CO 0.00 0.05 -0.21 1.05 -1.01 0.00 0.00 177.57 177.45 1hfw h GLU 99 N 0.00 0.00 0.05 4.17 4.11 -1.85 0.91 114.58 121.96 1hfw h GLU 99 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 1hfw h GLU 99 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1hfw h GLU 99 CO 0.01 0.21 -0.43 0.93 0.07 0.00 0.00 179.01 179.80 1hfw h GLU 100 N 0.00 0.10 -0.62 1.06 5.08 -1.55 -3.04 114.58 115.61 1hfw h GLU 100 Ca -0.00 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 1hfw h GLU 100 Cb 0.61 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1hfw h GLU 100 CO 0.03 1.08 0.04 0.77 -1.00 0.00 0.00 179.01 179.93 1hfw h SER 101 N -0.78 1.04 -0.55 1.42 0.02 -1.34 -2.51 113.55 110.84 1hfw h SER 101 Ca -0.09 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.54 1hfw h SER 101 Cb 1.25 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 1hfw h SER 101 CO 0.03 1.07 0.24 0.00 -1.14 0.00 0.00 176.83 177.03 1hfw h ALA 102 N 1.00 0.71 -0.15 3.77 0.00 -0.95 -2.47 119.26 121.18 1hfw h ALA 102 Ca 0.18 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1hfw h ALA 102 Cb 0.52 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1hfw h ALA 102 CO 0.02 0.30 -0.38 -0.92 0.00 0.00 0.00 179.25 178.27 1hfw h TYR 103 N 0.75 0.37 -0.33 0.00 3.20 -1.48 -0.44 116.97 119.03 1hfw h TYR 103 Ca 0.19 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1hfw h TYR 103 Cb 0.16 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1hfw h TYR 103 CO 0.00 0.66 0.15 0.35 -1.64 0.00 0.00 178.16 177.69 1hfw h PHE 104 N 0.27 0.49 -0.06 -3.82 3.04 -1.19 -2.60 116.94 113.07 1hfw h PHE 104 Ca 0.03 -0.03 -0.12 0.00 3.98 0.00 0.00 57.97 61.83 1hfw h PHE 104 Cb 0.80 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.15 1hfw h PHE 104 CO 0.02 0.44 -0.50 -0.07 -2.02 0.00 0.00 178.31 176.17 1hfw h LEU 105 N 0.40 0.18 -1.82 0.59 4.07 -1.25 -2.73 115.31 114.74 1hfw h LEU 105 Ca 0.11 -0.09 0.09 0.00 0.08 0.00 0.00 57.88 58.08 1hfw h LEU 105 Cb 0.14 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 1hfw h LEU 105 CO -0.01 0.66 0.31 -0.74 -1.08 0.00 0.00 178.44 177.57 1hfw h HIS 106 N 0.13 0.21 0.00 1.13 2.76 -0.74 -1.19 115.15 117.45 1hfw h HIS 106 Ca 0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1hfw h HIS 106 Cb 0.94 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.83 1hfw h HIS 106 CO 0.01 0.11 -0.97 1.28 -1.30 0.00 0.00 177.93 177.06 1hfw n LEU 107 N -4.46 0.78 0.00 0.26 4.77 -1.01 -1.16 117.00 116.19 1hfw n LEU 107 Ca 0.07 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1hfw n LEU 107 Cb 0.37 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1hfw n LEU 107 CO 0.35 0.18 0.16 0.35 -1.33 0.00 0.00 177.39 177.10 1hfw n THR 108 N -1.61 0.00 -3.01 -5.08 -2.24 -0.87 -4.39 114.28 97.08 1hfw n THR 108 Ca 0.03 -0.42 -0.41 0.00 -2.27 0.00 0.00 64.05 60.98 1hfw n THR 108 Cb 0.36 1.12 -0.05 0.00 -2.10 0.00 0.00 70.33 69.65 1hfw n THR 108 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1hfw s VAL 109 N -0.20 4.89 -1.17 2.28 1.01 -0.51 -4.80 120.40 121.91 1hfw s VAL 109 Ca 0.00 1.24 -0.03 0.00 0.00 0.00 0.00 61.98 63.18 1hfw s VAL 109 Cb 0.00 -4.04 0.22 0.00 0.00 0.00 0.00 36.38 32.56 1hfw s VAL 109 CO 0.00 -0.08 2.10 0.29 0.00 0.00 0.00 175.10 177.41 1hfw n LYS 110 N 5.93 5.02 -3.52 2.72 4.76 -1.26 -3.68 118.16 128.12 1hfw n LYS 110 Ca 0.02 -4.07 -0.15 0.00 -2.87 0.00 0.00 58.31 51.24 1hfw n LYS 110 Cb 0.48 -2.55 -0.05 0.00 -1.84 0.00 0.00 35.03 31.08 1hfw n LYS 110 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1hfw s SER 111 N -0.50 -0.56 0.06 4.39 0.15 -1.26 -4.86 113.70 111.12 1hfw s SER 111 Ca 0.46 0.36 0.25 0.00 0.70 0.00 0.00 55.95 57.72 1hfw s SER 111 Cb 0.19 0.53 0.43 0.00 -1.71 0.00 0.00 66.02 65.46 1hfw s SER 111 CO -0.12 -0.72 1.36 0.47 1.20 0.00 0.00 173.24 175.43 1hfw n ASP 112 N 0.46 0.58 -4.77 5.45 8.00 -1.26 -4.48 116.55 120.54 1hfw n ASP 112 Ca -0.18 -0.03 -0.39 0.00 0.71 0.00 0.00 54.79 54.89 1hfw n ASP 112 Cb 0.60 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 1hfw n ASP 112 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1hfw s LYS 113 N -3.10 3.87 0.25 -1.24 1.02 -1.26 -1.48 119.74 117.80 1hfw s LYS 113 Ca 0.08 2.15 -0.31 0.00 0.02 0.00 0.00 55.97 57.91 1hfw s LYS 113 Cb 0.15 -2.68 -0.12 0.00 -0.52 0.00 0.00 37.83 34.66 1hfw s LYS 113 CO 0.71 -0.58 1.67 -2.30 -0.92 0.00 0.00 175.35 173.93 1hfw n PRO 114 N -0.04 2.77 -3.99 -1.68 -0.02 -1.26 -4.87 135.00 125.91 1hfw n PRO 114 Ca 0.05 0.99 -0.31 0.00 -2.02 0.00 0.00 63.50 62.21 1hfw n PRO 114 Cb 0.44 -2.81 -0.16 0.00 -0.02 0.00 0.00 33.50 30.95 1hfw n PRO 114 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1hfw s VAL 115 N 0.61 1.65 -0.14 -1.45 1.01 -1.26 -1.78 120.40 119.04 1hfw s VAL 115 Ca 0.70 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1hfw s VAL 115 Cb -0.50 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.14 1hfw s VAL 115 CO 0.40 0.10 -0.19 -0.69 0.00 0.00 0.00 175.10 174.73 1hfw s VAL 116 N 1.38 1.85 0.00 2.92 1.01 -0.21 -1.94 120.40 125.41 1hfw s VAL 116 Ca -0.03 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 1hfw s VAL 116 Cb -0.17 -1.67 -0.06 0.00 0.00 0.00 0.00 36.38 34.48 1hfw s VAL 116 CO -0.08 0.51 0.47 -0.36 0.00 0.00 0.00 175.10 175.65 1hfw s PHE 117 N 1.09 3.72 0.03 5.22 0.40 0.53 -0.29 117.98 128.68 1hfw s PHE 117 Ca -0.02 1.07 0.03 0.00 -0.60 0.00 0.00 56.93 57.41 1hfw s PHE 117 Cb -0.14 -2.41 -0.02 0.00 0.51 0.00 0.00 43.02 40.96 1hfw s PHE 117 CO -0.06 0.54 -0.09 0.54 0.70 0.00 0.00 175.22 176.85 1hfw s VAL 118 N -0.78 0.64 0.35 -0.44 0.11 -0.09 -1.09 120.40 119.11 1hfw s VAL 118 Ca 0.26 -0.92 -0.04 0.00 -2.93 0.00 0.00 61.98 58.35 1hfw s VAL 118 Cb -0.17 -0.65 0.01 0.00 -1.53 0.00 0.00 36.38 34.04 1hfw s VAL 118 CO 0.15 -0.21 0.53 0.00 -3.33 0.00 0.00 175.10 172.24 1hfw s ALA 119 N -1.04 0.53 -0.04 1.54 0.00 -1.26 -2.07 121.76 119.43 1hfw s ALA 119 Ca -0.05 -1.40 -0.03 0.00 0.00 0.00 0.00 51.96 50.47 1hfw s ALA 119 Cb -0.08 1.07 0.01 0.00 0.00 0.00 0.00 23.12 24.12 1hfw s ALA 119 CO 0.01 -0.82 0.10 0.00 0.00 0.00 0.00 175.76 175.04 1hfw s ALA 120 N -2.89 -0.24 -0.21 0.00 0.00 -1.26 -4.80 121.76 112.36 1hfw s ALA 120 Ca 0.28 0.31 0.19 0.00 0.00 0.00 0.00 51.96 52.74 1hfw s ALA 120 Cb -0.01 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.94 1hfw s ALA 120 CO 0.19 -0.06 1.12 0.52 0.00 0.00 0.00 175.76 177.54 1hfw h MET 121 N 6.09 0.00 -6.26 0.00 2.86 -1.93 -3.43 114.93 112.27 1hfw h MET 121 Ca -0.26 0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 56.70 1hfw h MET 121 Cb 1.20 0.00 -0.18 0.00 0.06 0.00 0.00 31.60 32.68 1hfw h MET 121 CO 0.44 0.18 -0.71 1.03 1.06 0.00 0.00 176.91 178.92 1hfw s ARG 122 N -3.12 2.59 0.67 1.72 0.52 -1.26 -5.03 118.95 115.04 1hfw s ARG 122 Ca 0.01 -0.68 -0.17 0.00 -0.52 0.00 0.00 55.73 54.37 1hfw s ARG 122 Cb 0.08 -2.51 -0.00 0.00 0.52 0.00 0.00 34.95 33.03 1hfw s ARG 122 CO 0.77 0.62 1.19 -2.30 0.02 0.00 0.00 175.30 175.61 1hfw n PRO 123 N 1.78 0.91 0.33 3.54 -0.02 -1.26 -4.54 135.00 135.74 1hfw n PRO 123 Ca -0.16 0.37 0.22 0.00 -2.02 0.00 0.00 63.50 61.91 1hfw n PRO 123 Cb 0.53 -2.43 1.19 0.00 -0.02 0.00 0.00 33.50 32.77 1hfw n PRO 123 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1hfw h ALA 124 N 0.27 1.00 0.00 3.55 0.00 -1.82 -0.93 119.26 121.33 1hfw h ALA 124 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1hfw h ALA 124 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1hfw h ALA 124 CO 0.51 0.00 -0.82 0.25 0.00 0.00 0.00 179.25 179.19 1hfw n THR 125 N -3.06 0.26 -1.43 0.00 -2.24 -1.26 -4.90 114.28 101.65 1hfw n THR 125 Ca -0.03 -0.26 -0.32 0.00 -2.27 0.00 0.00 64.05 61.17 1hfw n THR 125 Cb 0.08 0.04 0.08 0.00 -2.10 0.00 0.00 70.33 68.43 1hfw n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hfw s ALA 126 N -3.18 2.22 0.28 6.98 0.00 -0.36 -4.98 121.76 122.73 1hfw s ALA 126 Ca 0.05 0.54 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 1hfw s ALA 126 Cb 0.14 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.81 1hfw s ALA 126 CO 0.76 -1.70 1.19 0.42 0.00 0.00 0.00 175.76 176.43 1hfw s ILE 127 N -2.45 3.21 -1.37 0.00 1.01 -1.26 -2.96 121.20 117.37 1hfw s ILE 127 Ca 0.67 1.18 -0.07 0.00 0.00 0.00 0.00 60.65 62.43 1hfw s ILE 127 Cb -0.22 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 38.53 1hfw s ILE 127 CO 0.48 0.27 1.04 -1.20 0.00 0.00 0.00 174.94 175.53 1hfw n SER 128 N 1.27 -4.54 -4.77 3.58 7.64 -1.26 -4.91 113.62 110.63 1hfw n SER 128 Ca 0.00 -0.65 -0.41 0.00 1.01 0.00 0.00 58.87 58.82 1hfw n SER 128 Cb 0.44 -4.63 -0.00 0.00 -1.01 0.00 0.00 64.21 59.00 1hfw n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hfw n ALA 129 N -4.68 2.41 0.29 -0.43 0.00 -1.16 -4.92 120.51 112.03 1hfw n ALA 129 Ca -0.08 0.34 0.12 0.00 0.00 0.00 0.00 53.44 53.82 1hfw n ALA 129 Cb 0.59 -2.43 0.07 0.00 0.00 0.00 0.00 19.45 17.68 1hfw n ALA 129 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1hfw h ASP 130 N 3.13 0.00 -0.50 0.00 2.03 -1.87 -3.40 116.42 115.81 1hfw h ASP 130 Ca -0.50 -0.09 0.10 0.00 -0.73 0.00 0.00 57.03 55.80 1hfw h ASP 130 Cb 1.24 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.66 1hfw h ASP 130 CO 0.65 0.04 0.01 1.23 -1.03 0.00 0.00 179.24 180.15 1hfw h GLY 131 N 4.19 0.52 0.48 7.15 0.00 -1.87 -2.48 103.07 111.08 1hfw h GLY 131 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.45 1hfw h GLY 131 CO 0.00 -0.13 0.10 -2.55 0.00 0.00 0.00 176.54 173.96 1hfw h PRO 132 N 0.13 0.23 -0.44 4.80 0.11 -1.92 -1.35 132.00 133.57 1hfw h PRO 132 Ca 0.25 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.21 1hfw h PRO 132 Cb 0.38 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1hfw h PRO 132 CO -0.41 0.15 -0.28 1.98 -0.21 0.00 0.00 178.00 179.24 1hfw h MET 133 N 0.24 0.95 -0.65 1.05 1.85 -1.83 -2.41 114.93 114.12 1hfw h MET 133 Ca 0.21 -0.43 0.01 0.00 -0.61 0.00 0.00 59.70 58.88 1hfw h MET 133 Cb 0.25 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.23 1hfw h MET 133 CO -0.26 1.10 0.42 -0.91 -0.40 0.00 0.00 176.91 176.85 1hfw h ASN 134 N 0.80 0.71 -0.24 1.39 2.35 -1.12 -1.18 115.58 118.29 1hfw h ASN 134 Ca 0.09 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1hfw h ASN 134 Cb 0.85 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 1hfw h ASN 134 CO 0.08 0.51 0.12 0.25 -1.65 0.00 0.00 177.43 176.73 1hfw h LEU 135 N 0.84 0.32 -0.70 1.61 5.85 -1.18 -0.74 115.31 121.31 1hfw h LEU 135 Ca 0.24 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.91 1hfw h LEU 135 Cb -0.06 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 1hfw h LEU 135 CO -0.07 0.35 0.39 -0.07 -0.34 0.00 0.00 178.44 178.70 1hfw h LEU 136 N 0.26 0.57 -0.75 2.25 3.38 -1.12 -1.23 115.31 118.67 1hfw h LEU 136 Ca 0.08 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1hfw h LEU 136 Cb 0.12 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1hfw h LEU 136 CO -0.01 0.36 -0.20 -0.33 0.09 0.00 0.00 178.44 178.35 1hfw h GLU 137 N 0.70 0.74 -0.61 1.13 5.08 -0.98 -2.39 114.58 118.25 1hfw h GLU 137 Ca 0.32 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1hfw h GLU 137 Cb 0.22 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1hfw h GLU 137 CO -0.20 0.88 0.23 0.00 -1.00 0.00 0.00 179.01 178.92 1hfw h ALA 138 N 1.12 0.79 -0.44 3.43 0.00 -0.34 -1.11 119.26 122.72 1hfw h ALA 138 Ca 0.10 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1hfw h ALA 138 Cb 0.69 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1hfw h ALA 138 CO 0.05 0.43 -0.12 0.28 0.00 0.00 0.00 179.25 179.89 1hfw h VAL 139 N 0.86 1.26 -0.39 0.00 2.07 -1.18 -0.48 116.25 118.39 1hfw h VAL 139 Ca 0.20 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 1hfw h VAL 139 Cb 0.23 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1hfw h VAL 139 CO -0.01 0.41 0.09 -0.09 0.02 0.00 0.00 177.57 177.98 1hfw h ARG 140 N 0.72 0.63 -0.39 1.57 2.43 -1.09 -1.77 114.38 116.48 1hfw h ARG 140 Ca 0.12 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 1hfw h ARG 140 Cb 0.61 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1hfw h ARG 140 CO 0.04 0.66 0.04 0.28 -1.51 0.00 0.00 179.97 179.49 1hfw h VAL 141 N 0.49 1.25 0.00 0.20 2.07 -1.03 -2.81 116.25 116.42 1hfw h VAL 141 Ca 0.12 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 1hfw h VAL 141 Cb 0.32 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1hfw h VAL 141 CO 0.00 0.31 -0.21 0.00 0.02 0.00 0.00 177.57 177.69 1hfw h ALA 142 N 0.91 1.50 -0.01 1.67 0.00 -0.99 -2.96 119.26 119.37 1hfw h ALA 142 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1hfw h ALA 142 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1hfw h ALA 142 CO 0.01 0.26 -0.30 0.41 0.00 0.00 0.00 179.25 179.64 1hfw n GLY 143 N -0.79 -0.39 3.71 0.00 0.00 -0.67 -4.53 105.19 102.52 1hfw n GLY 143 Ca -0.02 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 1hfw n GLY 143 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hfw s ASP 144 N -2.46 6.99 0.58 1.61 -1.08 -1.07 -4.84 116.67 116.40 1hfw s ASP 144 Ca 0.24 1.19 0.31 0.00 -0.52 0.00 0.00 52.55 53.77 1hfw s ASP 144 Cb 0.19 -2.42 1.80 0.00 -1.46 0.00 0.00 42.92 41.03 1hfw s ASP 144 CO 0.52 -0.16 2.22 0.50 0.52 0.00 0.00 175.17 178.77 1hfw h LYS 145 N 6.87 0.00 0.00 4.34 3.11 -1.90 -1.44 116.57 127.55 1hfw h LYS 145 Ca -0.39 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.45 1hfw h LYS 145 Cb 1.19 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.42 1hfw h LYS 145 CO 0.76 0.03 0.00 0.94 -2.81 0.00 0.00 179.45 178.37 1hfw n GLN 146 N -3.70 0.88 0.00 1.90 -0.06 -1.26 -3.04 117.38 112.10 1hfw n GLN 146 Ca -0.03 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.10 1hfw n GLN 146 Cb 0.12 -1.49 0.25 0.00 -4.06 0.00 0.00 30.24 25.05 1hfw n GLN 146 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1hfw n SER 147 N -0.99 1.10 -4.77 1.69 7.64 -0.54 -4.96 113.62 112.78 1hfw n SER 147 Ca 0.21 -0.88 -0.37 0.00 1.01 0.00 0.00 58.87 58.83 1hfw n SER 147 Cb 0.10 0.28 -0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1hfw n SER 147 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1hfw s ARG 148 N -2.63 3.63 -1.62 1.43 0.52 -1.17 -3.64 118.95 115.47 1hfw s ARG 148 Ca 0.19 1.84 0.00 0.00 -0.52 0.00 0.00 55.73 57.24 1hfw s ARG 148 Cb 0.18 -2.36 0.00 0.00 0.52 0.00 0.00 34.95 33.30 1hfw s ARG 148 CO 0.59 -0.68 0.00 0.41 0.02 0.00 0.00 175.30 175.65 1hfw n GLY 149 N 0.48 1.06 0.82 -3.53 0.00 -0.55 -4.89 105.19 98.59 1hfw n GLY 149 Ca 0.08 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.98 1hfw n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hfw n ARG 150 N -2.54 2.00 0.00 1.61 1.74 -1.24 -5.07 116.66 113.16 1hfw n ARG 150 Ca -0.17 -1.67 0.00 0.00 -0.77 0.00 0.00 57.85 55.23 1hfw n ARG 150 Cb 0.57 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 1hfw n ARG 150 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hfw n GLY 151 N 1.32 -0.30 3.75 -0.13 0.00 -1.26 -4.80 105.19 103.77 1hfw n GLY 151 Ca 0.12 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 1hfw n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hfw s VAL 152 N -1.08 3.42 0.18 1.61 1.01 -1.26 -4.67 120.40 119.61 1hfw s VAL 152 Ca 0.00 1.36 0.09 0.00 0.00 0.00 0.00 61.98 63.43 1hfw s VAL 152 Cb 0.00 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1hfw s VAL 152 CO 0.00 0.30 -0.19 -0.04 0.00 0.00 0.00 175.10 175.16 1hfw s MET 153 N -1.17 1.36 -0.18 2.72 1.00 -0.82 -2.19 119.30 120.02 1hfw s MET 153 Ca 0.47 -1.47 0.01 0.00 0.00 0.00 0.00 55.69 54.70 1hfw s MET 153 Cb -0.33 -1.45 0.02 0.00 0.00 0.00 0.00 34.83 33.07 1hfw s MET 153 CO 0.41 0.29 -0.18 0.08 0.00 0.00 0.00 175.02 175.63 1hfw s VAL 154 N -2.06 1.93 -0.18 -6.03 1.01 -0.44 -0.35 120.40 114.29 1hfw s VAL 154 Ca 0.18 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1hfw s VAL 154 Cb -0.06 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1hfw s VAL 154 CO 0.08 0.49 -0.05 -0.69 0.00 0.00 0.00 175.10 174.93 1hfw s VAL 155 N 1.33 3.61 -0.26 2.92 1.01 -0.25 -1.53 120.40 127.23 1hfw s VAL 155 Ca 0.04 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 61.32 1hfw s VAL 155 Cb -0.13 -2.60 0.13 0.00 0.00 0.00 0.00 36.38 33.78 1hfw s VAL 155 CO -0.12 0.46 1.09 -0.51 0.00 0.00 0.00 175.10 176.02 1hfw s ILE 156 N 0.82 0.00 -1.34 2.22 2.07 -0.88 -4.18 121.20 119.91 1hfw s ILE 156 Ca -0.01 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.18 1hfw s ILE 156 Cb -0.15 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.46 1hfw s ILE 156 CO 0.02 0.00 0.89 -3.20 -1.91 0.00 0.00 174.94 170.73 1hfw n ASN 157 N 1.86 -2.81 0.00 4.50 5.15 -1.26 -1.85 115.26 120.84 1hfw n ASN 157 Ca -0.12 -0.74 0.00 0.00 -0.60 0.00 0.00 54.58 53.13 1hfw n ASN 157 Cb 0.56 -4.36 0.00 0.00 -0.53 0.00 0.00 39.78 35.46 1hfw n ASN 157 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1hfw n ASP 158 N -3.02 -2.58 -4.55 1.20 8.00 -1.26 -4.98 116.55 109.35 1hfw n ASP 158 Ca -0.18 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.02 1hfw n ASP 158 Cb 0.63 -2.03 -0.10 0.00 -0.02 0.00 0.00 41.12 39.59 1hfw n ASP 158 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1hfw s ARG 159 N -0.98 2.12 -0.25 -1.24 1.81 -0.77 -0.61 118.95 119.02 1hfw s ARG 159 Ca 0.00 -1.01 -0.00 0.00 -1.72 0.00 0.00 55.73 53.00 1hfw s ARG 159 Cb 0.00 -2.29 0.04 0.00 -0.45 0.00 0.00 34.95 32.25 1hfw s ARG 159 CO 0.00 0.52 -0.08 0.42 -0.68 0.00 0.00 175.30 175.48 1hfw s ILE 160 N -1.15 2.64 0.17 1.52 1.01 -0.60 -2.07 121.20 122.71 1hfw s ILE 160 Ca 0.20 -1.23 0.09 0.00 0.00 0.00 0.00 60.65 59.71 1hfw s ILE 160 Cb -0.11 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1hfw s ILE 160 CO 0.12 0.13 -0.14 -0.83 0.00 0.00 0.00 174.94 174.21 1hfw s GLY 161 N 1.25 1.72 0.17 6.18 0.00 -0.58 -0.67 107.32 115.39 1hfw s GLY 161 Ca -0.02 -1.48 -0.25 0.00 0.00 0.00 0.00 44.72 42.96 1hfw s GLY 161 CO -0.05 -1.49 0.78 -0.45 0.00 0.00 0.00 173.10 171.89 1hfw s SER 162 N -2.64 7.40 0.57 1.64 0.15 -1.26 -1.32 113.70 118.23 1hfw s SER 162 Ca 0.22 1.65 0.26 0.00 0.70 0.00 0.00 55.95 58.79 1hfw s SER 162 Cb -0.09 -2.50 1.67 0.00 -1.71 0.00 0.00 66.02 63.38 1hfw s SER 162 CO 0.13 0.21 2.22 0.00 1.20 0.00 0.00 173.24 177.00 1hfw h ALA 163 N 4.32 1.63 0.00 5.45 0.00 -1.79 0.73 119.26 129.60 1hfw h ALA 163 Ca -0.47 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 1hfw h ALA 163 Cb 1.21 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1hfw h ALA 163 CO 0.66 0.01 -0.66 -0.09 0.00 0.00 0.00 179.25 179.17 1hfw h ARG 164 N 0.00 0.00 0.00 0.00 9.65 -1.93 -3.38 114.38 118.72 1hfw h ARG 164 Ca -0.00 0.00 -0.15 0.00 -1.10 0.00 0.00 59.98 58.73 1hfw h ARG 164 Cb 0.02 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 1hfw h ARG 164 CO 0.00 0.66 -1.62 0.66 2.80 0.00 0.00 179.97 182.47 1hfw n TYR 165 N -3.65 0.00 -2.24 2.20 4.01 -0.81 -4.98 117.16 111.69 1hfw n TYR 165 Ca -0.01 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 1hfw n TYR 165 Cb 0.67 -0.43 -0.01 0.00 -0.31 0.00 0.00 39.34 39.26 1hfw n TYR 165 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 1hfw s ILE 166 N -2.29 3.06 0.07 -0.72 1.10 0.18 -4.65 121.20 117.95 1hfw s ILE 166 Ca -0.05 0.83 -0.20 0.00 -0.51 0.00 0.00 60.65 60.72 1hfw s ILE 166 Cb 0.03 -3.44 0.05 0.00 0.15 0.00 0.00 42.46 39.25 1hfw s ILE 166 CO 0.39 0.02 0.49 0.28 -2.11 0.00 0.00 174.94 174.01 1hfw s THR 167 N -1.48 0.04 -0.45 4.00 -1.32 -1.19 -4.89 115.64 110.34 1hfw s THR 167 Ca 0.61 -0.32 -0.27 0.00 -1.21 0.00 0.00 61.69 60.51 1hfw s THR 167 Cb -0.30 -1.01 0.03 0.00 -1.51 0.00 0.00 72.50 69.70 1hfw s THR 167 CO 0.37 -0.18 1.00 -0.75 -2.21 0.00 0.00 174.62 172.85 1hfw s LYS 168 N -2.84 3.65 0.07 7.08 2.20 -1.26 -2.75 119.74 125.90 1hfw s LYS 168 Ca -0.03 0.37 0.23 0.00 -0.36 0.00 0.00 55.97 56.18 1hfw s LYS 168 Cb -0.00 -3.90 -0.02 0.00 -1.51 0.00 0.00 37.83 32.40 1hfw s LYS 168 CO -0.05 -1.22 0.95 0.25 -0.36 0.00 0.00 175.35 174.92 1hfw n THR 169 N 6.47 0.24 -4.64 3.43 -2.24 -0.65 -4.93 114.28 111.97 1hfw n THR 169 Ca 0.08 -0.34 -0.22 0.00 -2.27 0.00 0.00 64.05 61.30 1hfw n THR 169 Cb 0.49 0.07 -0.15 0.00 -2.10 0.00 0.00 70.33 68.64 1hfw n THR 169 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1hfw s ASN 170 N -4.30 1.65 0.25 3.42 3.84 -1.25 -5.06 114.94 113.49 1hfw s ASN 170 Ca 0.01 -0.26 -0.05 0.00 0.21 0.00 0.00 52.86 52.77 1hfw s ASN 170 Cb 0.13 -0.18 0.29 0.00 -0.55 0.00 0.00 41.25 40.95 1hfw s ASN 170 CO 0.81 0.17 1.92 0.00 -2.79 0.00 0.00 177.10 177.21 1hfw h ALA 171 N 5.76 1.30 0.00 1.71 0.00 -1.97 -3.39 119.26 122.66 1hfw h ALA 171 Ca -0.34 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1hfw h ALA 171 Cb 1.16 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1hfw h ALA 171 CO 0.49 0.60 -0.17 0.43 0.00 0.00 0.00 179.25 180.59 1hfw n SER 172 N -4.42 0.07 -4.95 0.00 7.64 -1.26 -5.12 113.62 105.58 1hfw n SER 172 Ca 0.13 -1.39 -0.23 0.00 1.01 0.00 0.00 58.87 58.39 1hfw n SER 172 Cb 0.05 -0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.17 1hfw n SER 172 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1hfw s THR 173 N -0.05 5.16 0.33 0.44 -4.23 -1.26 -5.01 115.64 111.01 1hfw s THR 173 Ca 0.00 -0.63 0.09 0.00 -1.18 0.00 0.00 61.69 59.97 1hfw s THR 173 Cb 0.00 -3.86 0.06 0.00 1.34 0.00 0.00 72.50 70.04 1hfw s THR 173 CO 0.00 -0.48 1.76 -0.07 -0.54 0.00 0.00 174.62 175.28 1hfw h LEU 174 N 0.89 0.14 -2.63 4.79 3.38 -1.97 -3.03 115.31 116.88 1hfw h LEU 174 Ca -0.50 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 1hfw h LEU 174 Cb 1.22 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1hfw h LEU 174 CO 0.61 0.52 0.03 -0.90 0.09 0.00 0.00 178.44 178.79 1hfw n ASP 175 N -4.06 3.90 -0.31 -0.43 5.75 -1.26 -4.62 116.55 115.53 1hfw n ASP 175 Ca -0.02 -2.61 0.06 0.00 -0.01 0.00 0.00 54.79 52.21 1hfw n ASP 175 Cb 0.44 -0.62 0.26 0.00 -1.03 0.00 0.00 41.12 40.17 1hfw n ASP 175 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hfw h THR 176 N 2.33 1.01 -3.43 2.12 1.03 -1.86 -3.42 112.91 110.70 1hfw h THR 176 Ca 0.03 -0.34 -0.57 0.00 -0.01 0.00 0.00 66.41 65.53 1hfw h THR 176 Cb 1.48 -0.05 -0.06 0.00 -1.07 0.00 0.00 68.15 68.44 1hfw h THR 176 CO 0.33 0.18 0.99 -0.36 -0.01 0.00 0.00 175.52 176.65 1hfw s PHE 177 N -5.88 2.64 0.13 0.00 0.08 -1.26 -1.63 117.98 112.05 1hfw s PHE 177 Ca -0.11 0.75 -0.07 0.00 0.12 0.00 0.00 56.93 57.61 1hfw s PHE 177 Cb 0.21 -4.27 -0.01 0.00 -0.57 0.00 0.00 43.02 38.37 1hfw s PHE 177 CO 0.80 -1.61 0.20 1.03 -0.10 0.00 0.00 175.22 175.54 1hfw s ARG 178 N 4.58 0.99 -0.46 0.44 3.00 -1.11 -4.96 118.95 121.44 1hfw s ARG 178 Ca 0.55 -1.16 0.03 0.00 0.00 0.00 0.00 55.73 55.14 1hfw s ARG 178 Cb -0.11 0.33 0.15 0.00 0.00 0.00 0.00 34.95 35.32 1hfw s ARG 178 CO 0.30 -0.33 0.30 0.00 0.00 0.00 0.00 175.30 175.57 1hfw s ALA 179 N -3.95 1.96 0.22 2.13 0.00 -1.26 -3.19 121.76 117.66 1hfw s ALA 179 Ca 0.14 -2.61 -0.14 0.00 0.00 0.00 0.00 51.96 49.35 1hfw s ALA 179 Cb 0.05 -1.79 0.25 0.00 0.00 0.00 0.00 23.12 21.63 1hfw s ALA 179 CO -0.03 -2.05 1.60 -0.91 0.00 0.00 0.00 175.76 174.37 1hfw h ASN 180 N 6.24 -0.81 0.79 0.00 2.35 -1.91 0.24 115.58 122.48 1hfw h ASN 180 Ca 0.11 0.22 -0.19 0.00 -0.55 0.00 0.00 56.30 55.90 1hfw h ASN 180 Cb 0.90 0.49 -0.03 0.00 0.05 0.00 0.00 38.32 39.73 1hfw h ASN 180 CO 0.44 -0.26 -1.32 -0.33 -1.65 0.00 0.00 177.43 174.32 1hfw h GLU 181 N -0.04 0.00 0.00 0.81 4.39 -1.98 -3.39 114.58 114.38 1hfw h GLU 181 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1hfw h GLU 181 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1hfw h GLU 181 CO -0.74 0.42 -1.50 0.39 -1.16 0.00 0.00 179.01 176.42 1hfw n GLU 182 N -3.00 0.42 -0.11 2.33 4.71 -1.04 -5.10 120.64 118.84 1hfw n GLU 182 Ca -0.09 -0.09 0.01 0.00 -0.01 0.00 0.00 57.16 56.98 1hfw n GLU 182 Cb 0.88 -1.55 -0.00 0.00 -1.01 0.00 0.00 31.44 29.76 1hfw n GLU 182 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1hfw n GLY 183 N 1.34 -1.62 3.84 0.62 0.00 0.80 -4.90 105.19 105.27 1hfw n GLY 183 Ca -0.01 -1.24 -0.27 0.00 0.00 0.00 0.00 46.02 44.50 1hfw n GLY 183 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hfw s TYR 184 N -0.24 3.28 0.22 1.61 2.02 -1.26 -4.61 117.35 118.36 1hfw s TYR 184 Ca 0.00 0.06 -0.05 0.00 -0.37 0.00 0.00 57.07 56.71 1hfw s TYR 184 Cb 0.00 -1.59 0.19 0.00 -0.40 0.00 0.00 41.96 40.16 1hfw s TYR 184 CO 0.00 0.52 1.64 -0.07 -1.57 0.00 0.00 175.55 176.08 1hfw h LEU 185 N 2.54 0.81 0.00 -1.29 3.38 -1.20 -3.39 115.31 116.16 1hfw h LEU 185 Ca -0.47 -0.28 0.13 0.00 0.09 0.00 0.00 57.88 57.35 1hfw h LEU 185 Cb 1.19 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1hfw h LEU 185 CO 0.66 0.98 0.47 0.61 0.09 0.00 0.00 178.44 181.26 1hfw n GLY 186 N -0.30 0.74 3.08 0.83 0.00 -1.14 0.45 105.19 108.85 1hfw n GLY 186 Ca 0.01 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 1hfw n GLY 186 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hfw s VAL 187 N -2.16 0.37 -0.23 1.61 -7.23 -0.74 -1.56 120.40 110.45 1hfw s VAL 187 Ca 0.18 -1.46 0.01 0.00 -1.81 0.00 0.00 61.98 58.90 1hfw s VAL 187 Cb -0.02 -1.05 0.04 0.00 0.56 0.00 0.00 36.38 35.90 1hfw s VAL 187 CO 0.05 -0.72 -0.13 -0.63 -0.31 0.00 0.00 175.10 173.36 1hfw s ILE 188 N -2.71 2.30 -0.04 -0.62 1.01 0.21 -1.24 121.20 120.12 1hfw s ILE 188 Ca -0.01 -1.30 0.01 0.00 0.00 0.00 0.00 60.65 59.35 1hfw s ILE 188 Cb -0.01 -2.20 0.02 0.00 0.01 0.00 0.00 42.46 40.28 1hfw s ILE 188 CO -0.04 0.19 -0.03 -0.63 0.00 0.00 0.00 174.94 174.42 1hfw s ILE 189 N 1.21 0.42 -1.39 2.92 -1.09 -0.97 -4.74 121.20 117.56 1hfw s ILE 189 Ca -0.03 -0.07 -0.05 0.00 -2.23 0.00 0.00 60.65 58.27 1hfw s ILE 189 Cb -0.17 -0.46 0.01 0.00 -1.58 0.00 0.00 42.46 40.25 1hfw s ILE 189 CO -0.07 0.19 0.62 0.61 -1.23 0.00 0.00 174.94 175.06 1hfw n GLY 190 N 3.97 -0.40 2.38 6.18 0.00 -1.26 -2.54 105.19 113.52 1hfw n GLY 190 Ca -0.25 0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 1hfw n GLY 190 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hfw n ASN 191 N -2.16 -5.08 -4.02 1.61 5.03 -1.26 -5.00 115.26 104.38 1hfw n ASN 191 Ca -0.09 0.12 -0.18 0.00 0.87 0.00 0.00 54.58 55.29 1hfw n ASN 191 Cb 0.60 -4.14 -0.15 0.00 -1.02 0.00 0.00 39.78 35.07 1hfw n ASN 191 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1hfw s ARG 192 N -4.44 0.70 -0.15 3.52 3.52 -1.05 -5.14 118.95 115.90 1hfw s ARG 192 Ca 0.00 -0.33 -0.15 0.00 -0.13 0.00 0.00 55.73 55.13 1hfw s ARG 192 Cb 0.00 -0.67 -0.05 0.00 -1.56 0.00 0.00 34.95 32.67 1hfw s ARG 192 CO 0.00 0.18 0.33 0.42 -0.81 0.00 0.00 175.30 175.42 1hfw s ILE 193 N -0.24 5.28 -0.45 4.11 1.01 -1.26 -2.30 121.20 127.36 1hfw s ILE 193 Ca 0.03 0.63 -0.00 0.00 0.00 0.00 0.00 60.65 61.31 1hfw s ILE 193 Cb -0.04 -3.67 0.12 0.00 0.01 0.00 0.00 42.46 38.88 1hfw s ILE 193 CO -0.00 0.37 0.22 -0.31 0.00 0.00 0.00 174.94 175.22 1hfw s TYR 194 N 0.54 3.55 0.12 3.97 1.51 -0.37 -5.01 117.35 121.65 1hfw s TYR 194 Ca 0.18 -2.73 -0.30 0.00 -1.01 0.00 0.00 57.07 53.21 1hfw s TYR 194 Cb -0.13 -3.09 -0.06 0.00 -0.11 0.00 0.00 41.96 38.57 1hfw s TYR 194 CO 0.05 -0.91 0.95 0.71 -1.11 0.00 0.00 175.55 175.24 1hfw s TYR 195 N 0.65 3.82 -0.10 2.71 2.02 -1.26 -1.80 117.35 123.39 1hfw s TYR 195 Ca 0.12 1.79 -0.01 0.00 -0.37 0.00 0.00 57.07 58.60 1hfw s TYR 195 Cb -0.22 -3.04 -0.06 0.00 -0.40 0.00 0.00 41.96 38.25 1hfw s TYR 195 CO -0.04 0.23 -0.10 1.04 -1.57 0.00 0.00 175.55 175.10 1hfw n GLN 196 N 2.67 0.24 -4.34 -0.62 6.02 0.17 -4.96 117.38 116.56 1hfw n GLN 196 Ca 0.02 0.07 -0.17 0.00 -0.01 0.00 0.00 57.00 56.90 1hfw n GLN 196 Cb 0.49 -1.08 -0.10 0.00 1.02 0.00 0.00 30.24 30.57 1hfw n GLN 196 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1hfw s ASN 197 N -5.31 1.61 -0.04 1.08 0.01 -0.66 -5.04 114.94 106.58 1hfw s ASN 197 Ca -0.14 -1.32 0.01 0.00 -0.71 0.00 0.00 52.86 50.70 1hfw s ASN 197 Cb 0.04 0.07 0.02 0.00 0.41 0.00 0.00 41.25 41.79 1hfw s ASN 197 CO 0.21 -0.63 -0.02 -0.13 -1.51 0.00 0.00 177.10 175.02 1hfw s ARG 198 N -3.95 0.59 0.49 -0.60 0.52 -1.26 -4.78 118.95 109.95 1hfw s ARG 198 Ca 0.34 -0.01 -0.22 0.00 -0.52 0.00 0.00 55.73 55.33 1hfw s ARG 198 Cb 0.07 -0.71 -0.07 0.00 0.52 0.00 0.00 34.95 34.77 1hfw s ARG 198 CO 0.12 -0.13 1.14 0.96 0.02 0.00 0.00 175.30 177.41 1hfw s ILE 199 N 1.07 3.22 -0.92 1.52 -4.36 -1.26 -4.95 121.20 115.51 1hfw s ILE 199 Ca -0.09 0.85 0.00 0.00 -0.26 0.00 0.00 60.65 61.15 1hfw s ILE 199 Cb -0.14 -3.40 0.33 0.00 1.25 0.00 0.00 42.46 40.50 1hfw s ILE 199 CO -0.01 -0.07 1.66 -0.67 0.24 0.00 0.00 174.94 176.08 1hfw n ASP 200 N -0.76 6.77 -3.95 4.36 -0.08 -1.26 -4.95 116.55 116.67 1hfw n ASP 200 Ca 0.09 -3.70 -0.08 0.00 -1.51 0.00 0.00 54.79 49.58 1hfw n ASP 200 Cb 0.49 -1.03 -0.09 0.00 2.34 0.00 0.00 41.12 42.84 1hfw n ASP 200 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1hfw s LYS 201 N -4.14 0.69 0.36 -0.67 -0.14 -1.26 -5.05 119.74 109.53 1hfw s LYS 201 Ca 0.42 -0.96 -0.25 0.00 -1.36 0.00 0.00 55.97 53.81 1hfw s LYS 201 Cb 0.23 0.27 -0.09 0.00 -1.68 0.00 0.00 37.83 36.55 1hfw s LYS 201 CO -0.15 -0.18 1.02 -0.51 -0.76 0.00 0.00 175.35 174.77 1hfw s LEU 202 N -2.63 4.25 0.18 3.17 1.43 -0.50 -5.02 118.68 119.56 1hfw s LEU 202 Ca 0.02 1.99 -0.24 0.00 -1.03 0.00 0.00 54.13 54.87 1hfw s LEU 202 Cb 0.04 -4.07 0.06 0.00 0.03 0.00 0.00 46.19 42.25 1hfw s LEU 202 CO -0.09 -0.31 0.93 -1.38 0.23 0.00 0.00 176.35 175.74 1hfw s HIS 203 N -1.59 -0.12 0.00 0.29 -3.43 -1.26 -4.68 115.29 104.50 1hfw s HIS 203 Ca 0.54 -0.22 0.00 0.00 -0.80 0.00 0.00 55.06 54.58 1hfw s HIS 203 Cb -0.22 0.66 0.00 0.00 -1.43 0.00 0.00 32.58 31.59 1hfw s HIS 203 CO 0.28 -0.91 0.00 0.25 -2.00 0.00 0.00 174.74 172.36 1hfw n THR 204 N -0.48 0.00 0.24 -5.38 -2.24 -0.30 -1.08 114.28 105.03 1hfw n THR 204 Ca -0.06 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.88 1hfw n THR 204 Cb 0.60 0.00 0.86 0.00 -2.10 0.00 0.00 70.33 69.70 1hfw n THR 204 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1hfw h THR 205 N 0.00 0.00 -0.24 4.28 1.35 -1.78 -1.90 112.91 114.61 1hfw h THR 205 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1hfw h THR 205 Cb 0.00 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 67.12 1hfw h THR 205 CO 0.00 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.81 1hfw n ARG 206 N -2.61 2.79 -3.66 4.72 1.74 -0.24 -5.00 116.66 114.40 1hfw n ARG 206 Ca -0.02 -2.73 -0.37 0.00 -0.77 0.00 0.00 57.85 53.96 1hfw n ARG 206 Cb 0.06 -1.75 -0.06 0.00 -1.02 0.00 0.00 32.46 29.68 1hfw n ARG 206 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1hfw s SER 207 N -1.91 6.63 0.00 0.55 0.15 -0.72 -4.60 113.70 113.80 1hfw s SER 207 Ca 0.39 0.74 0.29 0.00 0.70 0.00 0.00 55.95 58.07 1hfw s SER 207 Cb 0.31 -2.17 1.22 0.00 -1.71 0.00 0.00 66.02 63.68 1hfw s SER 207 CO 0.09 0.32 1.84 1.33 1.20 0.00 0.00 173.24 178.02 1hfw n VAL 208 N 1.65 0.00 -3.20 4.45 0.24 -1.26 -4.84 118.33 115.37 1hfw n VAL 208 Ca -0.15 -0.18 -0.39 0.00 -2.04 0.00 0.00 64.34 61.58 1hfw n VAL 208 Cb 0.53 0.25 -0.06 0.00 -1.47 0.00 0.00 33.84 33.09 1hfw n VAL 208 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1hfw s PHE 209 N -2.06 3.42 -0.05 6.34 0.08 -1.26 -5.05 117.98 119.40 1hfw s PHE 209 Ca 0.39 0.89 0.00 0.00 0.12 0.00 0.00 56.93 58.33 1hfw s PHE 209 Cb 0.21 -2.70 0.02 0.00 -0.57 0.00 0.00 43.02 39.98 1hfw s PHE 209 CO 0.36 -0.06 -0.03 0.34 -0.10 0.00 0.00 175.22 175.74 1hfw s ASP 210 N 1.03 1.15 -0.27 1.36 -1.08 -1.26 -4.53 116.67 113.07 1hfw s ASP 210 Ca 0.27 -0.12 0.12 0.00 -0.52 0.00 0.00 52.55 52.30 1hfw s ASP 210 Cb -0.16 -0.45 0.56 0.00 -1.46 0.00 0.00 42.92 41.42 1hfw s ASP 210 CO 0.11 -0.10 1.53 1.33 0.52 0.00 0.00 175.17 178.56 1hfw n VAL 211 N 4.40 2.56 -2.34 1.11 0.24 -1.26 -4.98 118.33 118.06 1hfw n VAL 211 Ca -0.19 -2.20 -0.42 0.00 -2.04 0.00 0.00 64.34 59.48 1hfw n VAL 211 Cb 0.51 -0.31 -0.03 0.00 -1.47 0.00 0.00 33.84 32.54 1hfw n VAL 211 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1hfw s ARG 212 N -3.06 4.27 0.00 7.34 0.52 -1.26 -2.92 118.95 123.84 1hfw s ARG 212 Ca 0.46 1.79 0.00 0.00 -0.52 0.00 0.00 55.73 57.46 1hfw s ARG 212 Cb 0.39 -3.69 0.00 0.00 0.52 0.00 0.00 34.95 32.18 1hfw s ARG 212 CO 0.06 -0.62 0.00 0.41 0.02 0.00 0.00 175.30 175.17 1hfw n GLY 213 N 3.61 3.25 3.79 -3.53 0.00 -1.26 -5.06 105.19 105.98 1hfw n GLY 213 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1hfw n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hfw s LEU 214 N 0.00 3.87 0.00 0.99 1.43 -1.15 -4.95 118.68 118.88 1hfw s LEU 214 Ca 0.00 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 1hfw s LEU 214 Cb 0.00 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.73 1hfw s LEU 214 CO 0.00 -0.87 0.00 0.35 0.23 0.00 0.00 176.35 176.06 1hfw n THR 215 N -0.90 0.00 -3.91 5.49 -2.24 -1.26 -5.00 114.28 106.45 1hfw n THR 215 Ca 0.09 -0.31 -0.08 0.00 -2.27 0.00 0.00 64.05 61.48 1hfw n THR 215 Cb 0.51 0.90 -0.08 0.00 -2.10 0.00 0.00 70.33 69.56 1hfw n THR 215 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1hfw s SER 216 N -0.86 0.20 0.18 3.42 1.04 -1.26 -4.88 113.70 111.54 1hfw s SER 216 Ca 0.00 -0.73 0.08 0.00 0.48 0.00 0.00 55.95 55.77 1hfw s SER 216 Cb 0.00 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 1hfw s SER 216 CO 0.00 -0.71 -0.16 -0.76 0.98 0.00 0.00 173.24 172.60 1hfw s LEU 217 N -2.88 2.50 0.53 2.42 1.43 -1.26 -5.12 118.68 116.31 1hfw s LEU 217 Ca 0.06 -0.95 -0.22 0.00 -1.03 0.00 0.00 54.13 52.00 1hfw s LEU 217 Cb 0.06 -0.72 -0.05 0.00 0.03 0.00 0.00 46.19 45.51 1hfw s LEU 217 CO -0.10 -0.12 1.31 -2.84 0.23 0.00 0.00 176.35 174.82 1hfw s PRO 218 N -3.26 3.24 -0.08 1.29 0.02 -1.26 -4.95 135.00 130.00 1hfw s PRO 218 Ca 0.19 2.11 -0.30 0.00 0.02 0.00 0.00 61.00 63.02 1hfw s PRO 218 Cb -0.03 -2.26 -0.02 0.00 0.02 0.00 0.00 34.50 32.22 1hfw s PRO 218 CO 0.06 -1.07 1.06 0.15 -0.33 0.00 0.00 177.00 176.88 1hfw s LYS 219 N -2.90 4.41 -0.06 5.54 1.02 -1.26 -4.88 119.74 121.61 1hfw s LYS 219 Ca 0.71 1.47 0.00 0.00 0.02 0.00 0.00 55.97 58.17 1hfw s LYS 219 Cb -0.37 -3.54 0.02 0.00 -0.52 0.00 0.00 37.83 33.42 1hfw s LYS 219 CO 0.44 -0.33 -0.03 0.08 -0.92 0.00 0.00 175.35 174.58 1hfw s VAL 220 N 1.99 0.52 0.32 3.17 1.01 -1.26 -0.82 120.40 125.34 1hfw s VAL 220 Ca 0.51 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.52 1hfw s VAL 220 Cb -0.20 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1hfw s VAL 220 CO 0.20 0.25 0.01 -1.81 0.00 0.00 0.00 175.10 173.74 1hfw s ASP 221 N 1.31 4.28 -0.11 3.32 1.01 -1.05 -4.98 116.67 120.44 1hfw s ASP 221 Ca -0.05 -0.89 0.03 0.00 0.71 0.00 0.00 52.55 52.36 1hfw s ASP 221 Cb -0.14 -0.61 0.00 0.00 1.01 0.00 0.00 42.92 43.19 1hfw s ASP 221 CO -0.02 -0.17 -0.23 -0.63 0.21 0.00 0.00 175.17 174.34 1hfw s ILE 222 N -2.46 2.14 0.02 0.77 1.01 -1.26 -0.67 121.20 120.75 1hfw s ILE 222 Ca 0.34 -0.98 0.07 0.00 0.00 0.00 0.00 60.65 60.08 1hfw s ILE 222 Cb -0.02 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 1hfw s ILE 222 CO 0.20 0.55 -0.20 -0.76 0.00 0.00 0.00 174.94 174.73 1hfw s LEU 223 N 0.49 2.49 0.27 2.97 1.43 -0.44 -4.98 118.68 120.91 1hfw s LEU 223 Ca -0.15 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.46 1hfw s LEU 223 Cb -0.17 -1.47 -0.06 0.00 0.03 0.00 0.00 46.19 44.52 1hfw s LEU 223 CO 0.05 0.28 0.56 -0.47 0.23 0.00 0.00 176.35 177.01 1hfw s TYR 224 N -0.84 3.45 -0.15 0.29 5.04 -1.26 -0.94 117.35 122.94 1hfw s TYR 224 Ca 0.13 0.77 -0.02 0.00 -2.44 0.00 0.00 57.07 55.52 1hfw s TYR 224 Cb -0.10 -2.20 -0.02 0.00 0.35 0.00 0.00 41.96 39.99 1hfw s TYR 224 CO 0.03 0.20 -0.08 0.20 -1.34 0.00 0.00 175.55 174.56 1hfw s GLY 225 N -2.79 1.62 0.19 8.97 0.00 -0.52 -4.88 107.32 109.91 1hfw s GLY 225 Ca 0.46 -0.87 -0.24 0.00 0.00 0.00 0.00 44.72 44.07 1hfw s GLY 225 CO 0.26 -0.10 0.92 -2.52 0.00 0.00 0.00 173.10 171.66 1hfw s TYR 226 N 0.41 -0.12 0.27 1.90 1.13 -1.26 -4.44 117.35 115.25 1hfw s TYR 226 Ca -0.07 -0.24 -0.30 0.00 -1.41 0.00 0.00 57.07 55.05 1hfw s TYR 226 Cb -0.15 0.66 -0.11 0.00 -1.10 0.00 0.00 41.96 41.26 1hfw s TYR 226 CO 0.04 -0.93 1.60 -0.65 -2.51 0.00 0.00 175.55 173.10 1hfw s GLN 227 N -3.29 4.14 -0.95 -3.49 -0.21 -1.26 -2.14 119.66 112.46 1hfw s GLN 227 Ca 0.13 2.56 0.00 0.00 0.02 0.00 0.00 55.36 58.06 1hfw s GLN 227 Cb -0.02 -3.04 0.00 0.00 1.00 0.00 0.00 33.01 30.95 1hfw s GLN 227 CO 0.04 -0.63 0.00 -0.25 -2.12 0.00 0.00 175.29 172.32 1hfw n ASP 228 N 2.51 -3.90 -4.75 5.90 8.00 -1.26 -4.98 116.55 118.07 1hfw n ASP 228 Ca 0.09 0.17 -0.42 0.00 0.71 0.00 0.00 54.79 55.35 1hfw n ASP 228 Cb 0.37 -2.47 -0.02 0.00 -0.02 0.00 0.00 41.12 38.99 1hfw n ASP 228 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1hfw s ASP 229 N -2.82 6.40 0.27 -2.24 -4.77 -0.91 -4.96 116.67 107.64 1hfw s ASP 229 Ca 0.00 2.91 -0.28 0.00 -3.30 0.00 0.00 52.55 51.88 1hfw s ASP 229 Cb 0.00 -2.63 -0.09 0.00 -1.09 0.00 0.00 42.92 39.11 1hfw s ASP 229 CO 0.00 -0.90 0.93 -2.16 0.70 0.00 0.00 175.17 173.74 1hfw s PRO 230 N -0.28 4.72 0.20 2.11 0.04 -1.26 -4.68 135.00 135.85 1hfw s PRO 230 Ca 0.64 1.39 0.08 0.00 0.04 0.00 0.00 61.00 63.15 1hfw s PRO 230 Cb -0.47 -3.07 0.09 0.00 0.04 0.00 0.00 34.50 31.08 1hfw s PRO 230 CO 0.45 0.42 1.45 1.49 0.04 0.00 0.00 177.00 180.86 1hfw h GLU 231 N 3.74 0.05 0.00 4.56 4.81 -1.93 -3.29 114.58 122.51 1hfw h GLU 231 Ca -0.46 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1hfw h GLU 231 Cb 1.20 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1hfw h GLU 231 CO 0.67 0.82 -0.00 0.10 -0.73 0.00 0.00 179.01 179.86 1hfw h TYR 232 N 0.03 0.00 -0.08 0.92 -0.00 -1.94 -1.70 116.97 114.19 1hfw h TYR 232 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.62 1hfw h TYR 232 Cb 1.40 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.12 1hfw h TYR 232 CO 0.01 0.00 -0.39 -0.07 -0.00 0.00 0.00 178.16 177.71 1hfw h LEU 233 N 0.00 0.18 -0.38 0.10 3.38 -2.00 -1.39 115.31 115.21 1hfw h LEU 233 Ca -0.00 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1hfw h LEU 233 Cb 0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1hfw h LEU 233 CO 0.00 0.56 -0.29 1.88 0.09 0.00 0.00 178.44 180.69 1hfw h TYR 234 N 0.15 1.02 -0.61 1.13 -1.99 -1.53 -2.58 116.97 112.55 1hfw h TYR 234 Ca 0.01 -0.28 0.02 0.00 2.00 0.00 0.00 58.73 60.48 1hfw h TYR 234 Cb 0.76 -0.22 -0.04 0.00 2.00 0.00 0.00 36.73 39.23 1hfw h TYR 234 CO 0.01 1.08 0.39 -0.44 -0.00 0.00 0.00 178.16 179.19 1hfw h ASP 235 N 0.67 0.65 -0.46 3.88 3.32 -1.43 -1.37 116.42 121.67 1hfw h ASP 235 Ca 0.07 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1hfw h ASP 235 Cb 0.87 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 1hfw h ASP 235 CO 0.08 0.46 0.26 0.00 -1.72 0.00 0.00 179.24 178.31 1hfw h ALA 236 N 1.25 0.59 -0.19 3.45 0.00 -1.15 -0.20 119.26 123.00 1hfw h ALA 236 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1hfw h ALA 236 Cb -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1hfw h ALA 236 CO -0.08 -0.07 0.06 0.00 0.00 0.00 0.00 179.25 179.16 1hfw h ALA 237 N 1.22 0.26 -0.79 0.00 0.00 -1.17 -2.47 119.26 116.32 1hfw h ALA 237 Ca 0.19 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1hfw h ALA 237 Cb 0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1hfw h ALA 237 CO -0.11 -0.12 0.48 0.82 0.00 0.00 0.00 179.25 180.32 1hfw h ILE 238 N 0.14 1.03 0.00 0.00 2.04 -0.99 -1.80 117.51 117.94 1hfw h ILE 238 Ca 0.06 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1hfw h ILE 238 Cb 0.23 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1hfw h ILE 238 CO -0.00 0.16 -0.06 1.56 0.00 0.00 0.00 178.15 179.81 1hfw h GLN 239 N 0.88 0.00 -0.65 2.37 4.20 -0.74 -2.77 115.11 118.39 1hfw h GLN 239 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1hfw h GLN 239 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1hfw h GLN 239 CO -0.17 0.06 0.00 0.72 -0.67 0.00 0.00 178.83 178.78 1hfw n HIS 240 N -4.31 1.62 -2.74 2.96 8.25 -0.68 -4.96 115.22 115.35 1hfw n HIS 240 Ca -0.03 -0.58 -0.13 0.00 -0.26 0.00 0.00 57.72 56.72 1hfw n HIS 240 Cb 0.14 -0.39 0.02 0.00 1.12 0.00 0.00 29.99 30.89 1hfw n HIS 240 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hfw n GLY 241 N 0.65 -0.03 3.80 -1.41 0.00 -1.05 -5.02 105.19 102.13 1hfw n GLY 241 Ca 0.23 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1hfw n GLY 241 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hfw s VAL 242 N -2.94 3.85 -0.15 1.61 -7.23 -1.20 -4.78 120.40 109.57 1hfw s VAL 242 Ca 0.19 1.22 0.22 0.00 -1.81 0.00 0.00 61.98 61.81 1hfw s VAL 242 Cb -0.09 -3.53 -0.28 0.00 0.56 0.00 0.00 36.38 33.04 1hfw s VAL 242 CO 0.24 -0.18 0.61 0.29 -0.31 0.00 0.00 175.10 175.74 1hfw n LYS 243 N -0.68 0.59 -3.79 4.82 4.76 0.00 -4.85 118.16 119.01 1hfw n LYS 243 Ca 0.08 -0.13 -0.10 0.00 -2.87 0.00 0.00 58.31 55.28 1hfw n LYS 243 Cb 0.52 -1.56 -0.07 0.00 -1.84 0.00 0.00 35.03 32.08 1hfw n LYS 243 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1hfw s GLY 244 N -4.35 -0.05 -0.06 0.72 0.00 -1.08 -1.83 107.32 100.67 1hfw s GLY 244 Ca -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 44.72 44.44 1hfw s GLY 244 CO 0.89 -0.42 0.00 -0.42 0.00 0.00 0.00 173.10 173.14 1hfw s ILE 245 N -3.03 0.32 -0.23 0.90 1.01 -0.11 -2.53 121.20 117.52 1hfw s ILE 245 Ca -0.02 0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.64 1hfw s ILE 245 Cb 0.01 -0.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.97 1hfw s ILE 245 CO -0.06 0.23 0.21 -0.69 0.00 0.00 0.00 174.94 174.62 1hfw s VAL 246 N 1.71 5.33 -0.34 2.92 1.01 0.16 -0.67 120.40 130.51 1hfw s VAL 246 Ca 0.01 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.16 1hfw s VAL 246 Cb -0.13 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1hfw s VAL 246 CO -0.04 0.32 0.21 -0.47 0.00 0.00 0.00 175.10 175.12 1hfw s TYR 247 N 1.12 3.21 -1.25 5.22 5.04 0.34 -1.33 117.35 129.70 1hfw s TYR 247 Ca 0.10 -0.55 -0.15 0.00 -2.44 0.00 0.00 57.07 54.02 1hfw s TYR 247 Cb -0.14 -2.44 0.13 0.00 0.35 0.00 0.00 41.96 39.87 1hfw s TYR 247 CO 0.05 -0.49 1.58 0.00 -1.34 0.00 0.00 175.55 175.36 1hfw n ALA 248 N 5.04 3.85 -1.77 3.97 0.00 -0.12 -0.13 120.51 131.35 1hfw n ALA 248 Ca -0.13 -4.10 -0.29 0.00 0.00 0.00 0.00 53.44 48.92 1hfw n ALA 248 Cb 0.48 -3.26 0.10 0.00 0.00 0.00 0.00 19.45 16.77 1hfw n ALA 248 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1hfw s GLY 249 N 3.26 1.59 0.30 0.00 0.00 -1.00 -1.44 107.32 110.03 1hfw s GLY 249 Ca 0.47 -0.56 -0.28 0.00 0.00 0.00 0.00 44.72 44.35 1hfw s GLY 249 CO 0.03 -0.06 1.09 1.06 0.00 0.00 0.00 173.10 175.21 1hfw s MET 250 N -5.44 4.56 2.84 2.90 -1.94 -1.25 -0.44 119.30 120.53 1hfw s MET 250 Ca 0.62 1.75 0.00 0.00 -1.71 0.00 0.00 55.69 56.35 1hfw s MET 250 Cb -0.12 -3.08 0.00 0.00 2.01 0.00 0.00 34.83 33.64 1hfw s MET 250 CO 0.51 0.16 0.00 0.41 -0.01 0.00 0.00 175.02 176.08 1hfw n GLY 251 N 1.06 2.66 2.31 -0.03 0.00 -1.26 -1.19 105.19 108.74 1hfw n GLY 251 Ca -0.00 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1hfw n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hfw n ALA 252 N 8.23 6.99 -2.41 4.61 0.00 -1.26 -4.60 120.51 132.07 1hfw n ALA 252 Ca 0.00 -3.24 -0.15 0.00 0.00 0.00 0.00 53.44 50.05 1hfw n ALA 252 Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 19.45 16.61 1hfw n ALA 252 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hfw n GLY 253 N 2.52 -0.21 3.77 0.00 0.00 -0.97 -4.78 105.19 105.53 1hfw n GLY 253 Ca 0.63 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 46.05 1hfw n GLY 253 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hfw s SER 254 N -2.47 5.56 -0.03 1.61 0.01 -0.33 -4.87 113.70 113.18 1hfw s SER 254 Ca 0.05 2.26 0.03 0.00 1.31 0.00 0.00 55.95 59.60 1hfw s SER 254 Cb -0.02 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1hfw s SER 254 CO 0.07 -1.33 -0.10 -0.69 0.41 0.00 0.00 173.24 171.60 1hfw s VAL 255 N -1.70 0.87 0.87 3.43 1.01 -1.26 -3.88 120.40 119.74 1hfw s VAL 255 Ca 0.74 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 62.20 1hfw s VAL 255 Cb -0.26 -0.78 0.12 0.00 0.00 0.00 0.00 36.38 35.45 1hfw s VAL 255 CO 0.29 0.27 1.16 -0.94 0.00 0.00 0.00 175.10 175.89 1hfw s SER 256 N 0.24 3.92 0.42 3.32 1.04 -1.26 -4.80 113.70 116.58 1hfw s SER 256 Ca -0.04 0.85 0.09 0.00 0.48 0.00 0.00 55.95 57.33 1hfw s SER 256 Cb -0.10 -1.37 0.89 0.00 0.10 0.00 0.00 66.02 65.54 1hfw s SER 256 CO 0.01 -2.28 2.01 -0.37 0.98 0.00 0.00 173.24 173.59 1hfw h VAL 257 N -1.32 1.12 -0.19 5.02 -1.51 -1.99 -0.58 116.25 116.80 1hfw h VAL 257 Ca -0.48 -0.39 -0.18 0.00 -1.23 0.00 0.00 66.70 64.42 1hfw h VAL 257 Cb 1.33 0.86 -0.00 0.00 -2.13 0.00 0.00 31.29 31.34 1hfw h VAL 257 CO 0.63 0.14 -0.60 0.03 -1.23 0.00 0.00 177.57 176.54 1hfw h ARG 258 N 0.34 0.62 -0.58 5.19 3.08 -1.92 -2.49 114.38 118.63 1hfw h ARG 258 Ca 0.09 -0.42 -0.10 0.00 0.07 0.00 0.00 59.98 59.62 1hfw h ARG 258 Cb 0.12 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1hfw h ARG 258 CO -0.01 1.04 -0.02 0.78 -1.07 0.00 0.00 179.97 180.70 1hfw h GLY 259 N 0.97 1.11 0.99 0.04 0.00 -1.60 -2.19 103.07 102.40 1hfw h GLY 259 Ca -0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 47.33 46.48 1hfw h GLY 259 CO 0.12 0.77 0.30 -2.22 0.00 0.00 0.00 176.54 175.50 1hfw h ILE 260 N 0.92 1.20 -0.41 2.60 2.04 -1.07 0.18 117.51 122.97 1hfw h ILE 260 Ca 0.16 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.51 1hfw h ILE 260 Cb 0.57 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1hfw h ILE 260 CO 0.03 0.22 0.24 0.00 0.00 0.00 0.00 178.15 178.65 1hfw h ALA 261 N 1.13 0.51 -0.63 1.87 0.00 -1.30 -0.73 119.26 120.11 1hfw h ALA 261 Ca 0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1hfw h ALA 261 Cb 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1hfw h ALA 261 CO -0.03 -0.08 0.28 0.78 0.00 0.00 0.00 179.25 180.20 1hfw h GLY 262 N 0.49 0.99 1.09 0.00 0.00 -0.98 -2.78 103.07 101.88 1hfw h GLY 262 Ca 0.16 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 1hfw h GLY 262 CO -0.07 0.49 -0.01 -0.33 0.00 0.00 0.00 176.54 176.62 1hfw h MET 263 N 0.87 1.08 -0.83 4.80 2.07 -0.59 -2.73 114.93 119.60 1hfw h MET 263 Ca 0.21 -0.35 0.02 0.00 -2.07 0.00 0.00 59.70 57.51 1hfw h MET 263 Cb 0.16 -0.09 -0.04 0.00 -1.87 0.00 0.00 31.60 29.75 1hfw h MET 263 CO -0.02 1.06 0.54 0.00 1.07 0.00 0.00 176.91 179.56 1hfw h ARG 264 N 0.98 1.06 -0.79 1.72 3.08 -1.02 -1.44 114.38 117.97 1hfw h ARG 264 Ca 0.17 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1hfw h ARG 264 Cb 0.58 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 1hfw h ARG 264 CO 0.03 0.70 0.42 0.87 -1.07 0.00 0.00 179.97 180.93 1hfw h LYS 265 N 1.09 1.12 -0.34 0.04 1.57 -1.34 -2.31 116.57 116.40 1hfw h LYS 265 Ca 0.31 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1hfw h LYS 265 Cb -0.08 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.00 1hfw h LYS 265 CO -0.08 0.83 0.08 0.00 -0.57 0.00 0.00 179.45 179.71 1hfw h ALA 266 N 1.22 0.45 -0.75 3.86 0.00 -1.13 -2.88 119.26 120.02 1hfw h ALA 266 Ca 0.28 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1hfw h ALA 266 Cb 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1hfw h ALA 266 CO -0.04 0.11 0.34 -0.07 0.00 0.00 0.00 179.25 179.59 1hfw h LEU 267 N 0.39 1.00 -0.61 0.00 3.38 -1.08 -0.40 115.31 117.98 1hfw h LEU 267 Ca 0.11 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1hfw h LEU 267 Cb 0.30 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1hfw h LEU 267 CO 0.00 0.86 0.00 -1.84 0.09 0.00 0.00 178.44 177.55 1hfw n GLU 268 N -4.31 0.21 -0.25 1.13 0.28 -0.89 -1.63 120.64 115.19 1hfw n GLU 268 Ca 0.07 0.40 0.11 0.00 -0.16 0.00 0.00 57.16 57.58 1hfw n GLU 268 Cb 0.16 -1.87 0.27 0.00 1.43 0.00 0.00 31.44 31.42 1hfw n GLU 268 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1hfw n LYS 269 N -2.26 2.40 -0.88 3.44 4.76 -0.63 -4.94 118.16 120.06 1hfw n LYS 269 Ca 0.03 -2.15 0.00 0.00 -2.87 0.00 0.00 58.31 53.31 1hfw n LYS 269 Cb 0.26 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1hfw n LYS 269 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1hfw n GLY 270 N 1.47 0.54 3.78 0.72 0.00 -0.65 -5.04 105.19 106.00 1hfw n GLY 270 Ca 0.20 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1hfw n GLY 270 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hfw s VAL 271 N -2.00 4.43 -0.20 1.61 1.01 -0.26 -4.98 120.40 120.01 1hfw s VAL 271 Ca 0.00 1.66 -0.19 0.00 0.00 0.00 0.00 61.98 63.45 1hfw s VAL 271 Cb 0.00 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1hfw s VAL 271 CO 0.00 0.51 0.54 -0.69 0.00 0.00 0.00 175.10 175.46 1hfw s VAL 272 N -1.03 5.08 -0.21 2.92 1.01 -0.76 -4.05 120.40 123.37 1hfw s VAL 272 Ca 0.36 1.00 -0.08 0.00 0.00 0.00 0.00 61.98 63.25 1hfw s VAL 272 Cb -0.23 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1hfw s VAL 272 CO 0.25 0.16 0.09 -0.69 0.00 0.00 0.00 175.10 174.91 1hfw s VAL 273 N 1.75 4.87 -0.22 2.92 1.01 -1.26 -0.94 120.40 128.53 1hfw s VAL 273 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1hfw s VAL 273 Cb -0.15 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.03 1hfw s VAL 273 CO 0.10 0.41 -0.12 -0.32 0.00 0.00 0.00 175.10 175.17 1hfw s MET 274 N 0.74 2.81 -0.30 2.72 1.75 0.15 -1.30 119.30 125.87 1hfw s MET 274 Ca 0.05 -0.97 -0.21 0.00 -1.25 0.00 0.00 55.69 53.31 1hfw s MET 274 Cb -0.13 -2.81 -0.01 0.00 2.84 0.00 0.00 34.83 34.72 1hfw s MET 274 CO 0.02 -0.35 0.64 1.03 -0.65 0.00 0.00 175.02 175.72 1hfw s ARG 275 N 1.28 3.94 0.00 4.11 0.52 0.90 -0.50 118.95 129.20 1hfw s ARG 275 Ca 0.01 0.37 0.00 0.00 -0.52 0.00 0.00 55.73 55.59 1hfw s ARG 275 Cb -0.16 -3.71 0.00 0.00 0.52 0.00 0.00 34.95 31.60 1hfw s ARG 275 CO -0.08 -0.55 0.00 0.45 0.02 0.00 0.00 175.30 175.14 1hfw n SER 276 N 5.88 1.80 -3.98 0.23 2.88 0.81 -1.27 113.62 119.97 1hfw n SER 276 Ca -0.00 -0.03 -0.13 0.00 -1.33 0.00 0.00 58.87 57.38 1hfw n SER 276 Cb 0.49 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.82 1hfw n SER 276 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1hfw s THR 277 N 1.03 0.30 -0.84 2.46 -1.32 -1.26 -2.39 115.64 113.63 1hfw s THR 277 Ca 0.00 -0.63 0.25 0.00 -1.21 0.00 0.00 61.69 60.10 1hfw s THR 277 Cb 0.00 -0.35 0.06 0.00 -1.51 0.00 0.00 72.50 70.70 1hfw s THR 277 CO 0.00 -0.22 1.45 -2.11 -2.21 0.00 0.00 174.62 171.53 1hfw n ARG 278 N 2.16 0.13 -0.37 7.08 1.85 0.42 -4.34 116.66 123.58 1hfw n ARG 278 Ca -0.19 0.04 0.03 0.00 -1.00 0.00 0.00 57.85 56.73 1hfw n ARG 278 Cb 0.57 -1.59 0.17 0.00 -1.05 0.00 0.00 32.46 30.56 1hfw n ARG 278 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1hfw h THR 279 N 0.00 1.09 0.00 8.89 1.35 -1.85 -3.47 112.91 118.92 1hfw h THR 279 Ca 0.00 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1hfw h THR 279 Cb 0.61 -0.20 0.00 0.00 -1.73 0.00 0.00 68.15 66.83 1hfw h THR 279 CO 0.00 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 1hfw n GLY 280 N -1.36 2.31 3.58 5.82 0.00 -1.26 -5.09 105.19 109.18 1hfw n GLY 280 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1hfw n GLY 280 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hfw s ASN 281 N -1.92 -0.22 0.00 1.61 0.01 -1.26 -4.99 114.94 108.17 1hfw s ASN 281 Ca 0.00 -0.60 0.00 0.00 -0.71 0.00 0.00 52.86 51.55 1hfw s ASN 281 Cb 0.00 0.60 0.00 0.00 0.41 0.00 0.00 41.25 42.26 1hfw s ASN 281 CO 0.00 -1.11 0.00 0.61 -1.51 0.00 0.00 177.10 175.09 1hfw n GLY 282 N -0.36 0.67 3.80 0.66 0.00 -1.26 -5.01 105.19 103.69 1hfw n GLY 282 Ca -0.07 -2.02 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 1hfw n GLY 282 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hfw s ILE 283 N -1.49 5.35 -0.47 -0.61 -1.09 -1.26 -4.28 121.20 117.35 1hfw s ILE 283 Ca 0.00 0.41 -0.12 0.00 -2.23 0.00 0.00 60.65 58.71 1hfw s ILE 283 Cb 0.00 -3.53 0.10 0.00 -1.58 0.00 0.00 42.46 37.45 1hfw s ILE 283 CO 0.00 0.51 0.36 -0.69 -1.23 0.00 0.00 174.94 173.88 1hfw s VAL 284 N -0.32 4.58 0.66 2.92 1.01 -0.79 -4.93 120.40 123.53 1hfw s VAL 284 Ca 0.15 -1.48 -0.13 0.00 0.00 0.00 0.00 61.98 60.52 1hfw s VAL 284 Cb -0.13 -3.88 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 1hfw s VAL 284 CO 0.04 -0.67 1.08 -2.16 0.00 0.00 0.00 175.10 173.39 1hfw s PRO 285 N 1.47 2.93 0.54 2.72 0.04 -1.26 -3.74 135.00 137.71 1hfw s PRO 285 Ca 0.04 1.18 -0.19 0.00 0.04 0.00 0.00 61.00 62.07 1hfw s PRO 285 Cb -0.26 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 1hfw s PRO 285 CO 0.02 -1.12 1.11 -1.25 0.04 0.00 0.00 177.00 175.80 1hfw s PRO 286 N -4.45 3.41 -0.29 0.56 0.04 -1.26 -4.92 135.00 128.09 1hfw s PRO 286 Ca 0.63 1.54 0.04 0.00 0.04 0.00 0.00 61.00 63.25 1hfw s PRO 286 Cb -0.17 -2.02 0.19 0.00 0.04 0.00 0.00 34.50 32.55 1hfw s PRO 286 CO 0.46 -0.78 0.57 0.34 0.04 0.00 0.00 177.00 177.62 1hfw s ASP 287 N -1.87 -1.37 0.00 6.66 -1.08 -1.26 -5.04 116.67 112.71 1hfw s ASP 287 Ca 0.71 0.25 0.03 0.00 -0.52 0.00 0.00 52.55 53.03 1hfw s ASP 287 Cb -0.22 1.96 0.18 0.00 -1.46 0.00 0.00 42.92 43.37 1hfw s ASP 287 CO 0.26 -0.30 1.01 -0.62 0.52 0.00 0.00 175.17 176.05 1hfw n GLU 288 N 5.41 0.89 0.00 4.34 -0.58 -1.26 -2.06 120.64 127.39 1hfw n GLU 288 Ca 0.03 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.90 1hfw n GLU 288 Cb 0.53 -1.05 0.31 0.00 -0.57 0.00 0.00 31.44 30.66 1hfw n GLU 288 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1hfw n GLU 289 N -0.55 0.14 -4.31 3.49 -0.58 -1.26 -4.86 120.64 112.71 1hfw n GLU 289 Ca 0.02 -0.08 -0.26 0.00 -0.42 0.00 0.00 57.16 56.43 1hfw n GLU 289 Cb 0.01 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.29 1hfw n GLU 289 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1hfw s LEU 290 N -2.91 2.97 0.51 -4.62 1.43 -0.87 -5.13 118.68 110.05 1hfw s LEU 290 Ca 0.14 -0.63 -0.19 0.00 -1.03 0.00 0.00 54.13 52.42 1hfw s LEU 290 Cb 0.18 -1.62 -0.07 0.00 0.03 0.00 0.00 46.19 44.71 1hfw s LEU 290 CO 0.65 0.08 1.05 -2.84 0.23 0.00 0.00 176.35 175.53 1hfw s PRO 291 N -3.02 3.66 0.76 1.29 0.02 -1.26 -4.93 135.00 131.53 1hfw s PRO 291 Ca 0.26 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.65 1hfw s PRO 291 Cb -0.08 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.37 1hfw s PRO 291 CO 0.16 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.69 1hfw n GLY 292 N -0.32 -2.09 3.99 0.52 0.00 -1.26 -4.87 105.19 101.17 1hfw n GLY 292 Ca 0.09 -1.43 -0.19 0.00 0.00 0.00 0.00 46.02 44.49 1hfw n GLY 292 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hfw s LEU 293 N 0.00 3.39 0.15 0.99 1.43 -0.42 -4.94 118.68 119.28 1hfw s LEU 293 Ca 0.00 -0.65 0.10 0.00 -1.03 0.00 0.00 54.13 52.55 1hfw s LEU 293 Cb 0.00 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1hfw s LEU 293 CO 0.00 -0.95 -0.22 0.68 0.23 0.00 0.00 176.35 176.09 1hfw s VAL 294 N -2.49 2.56 -2.00 -1.59 -7.23 -1.26 -0.07 120.40 108.31 1hfw s VAL 294 Ca 0.55 -1.76 0.12 0.00 -1.81 0.00 0.00 61.98 59.09 1hfw s VAL 294 Cb -0.07 -2.19 0.36 0.00 0.56 0.00 0.00 36.38 35.03 1hfw s VAL 294 CO 0.33 0.01 1.30 -1.54 -0.31 0.00 0.00 175.10 174.89 1hfw n SER 295 N 0.59 2.15 0.00 4.85 3.41 -0.40 -4.84 113.62 119.38 1hfw n SER 295 Ca -0.15 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 1hfw n SER 295 Cb 0.54 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1hfw n SER 295 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1hfw n ASP 296 N 0.68 0.00 -1.48 4.04 -0.08 -1.24 -1.58 116.55 116.88 1hfw n ASP 296 Ca 0.13 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.51 1hfw n ASP 296 Cb 0.34 0.00 0.34 0.00 2.34 0.00 0.00 41.12 44.14 1hfw n ASP 296 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1hfw n SER 297 N 4.22 4.57 -4.72 1.67 3.41 -1.26 -1.89 113.62 119.62 1hfw n SER 297 Ca 0.00 -2.41 -0.41 0.00 -0.26 0.00 0.00 58.87 55.78 1hfw n SER 297 Cb 0.00 -0.55 -0.04 0.00 -0.26 0.00 0.00 64.21 63.36 1hfw n SER 297 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1hfw s LEU 298 N -1.77 4.44 0.86 1.04 1.02 -0.61 -4.78 118.68 118.87 1hfw s LEU 298 Ca 0.49 1.76 -0.12 0.00 0.02 0.00 0.00 54.13 56.28 1hfw s LEU 298 Cb 0.31 -3.58 0.11 0.00 0.02 0.00 0.00 46.19 43.05 1hfw s LEU 298 CO 0.24 -0.17 1.17 0.54 0.02 0.00 0.00 176.35 178.16 1hfw s ASN 299 N 0.46 4.03 0.21 2.29 4.22 -1.26 -4.67 114.94 120.22 1hfw s ASN 299 Ca 0.50 0.81 -0.13 0.00 -2.14 0.00 0.00 52.86 51.89 1hfw s ASN 299 Cb -0.23 -1.29 0.26 0.00 1.28 0.00 0.00 41.25 41.26 1hfw s ASN 299 CO 0.29 -2.21 1.63 -0.65 -2.04 0.00 0.00 177.10 174.12 1hfw h PRO 300 N -1.27 0.01 -0.56 3.55 0.11 -1.95 0.12 132.00 132.01 1hfw h PRO 300 Ca -0.47 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1hfw h PRO 300 Cb 1.32 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.41 1hfw h PRO 300 CO 0.62 0.01 0.27 0.00 -0.21 0.00 0.00 178.00 178.69 1hfw h ALA 301 N 1.64 0.72 -0.33 -0.75 0.00 -1.97 -1.81 119.26 116.77 1hfw h ALA 301 Ca 0.31 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 1hfw h ALA 301 Cb 0.49 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1hfw h ALA 301 CO -0.65 0.28 -0.40 0.45 0.00 0.00 0.00 179.25 178.94 1hfw h HIS 302 N 0.76 0.97 -0.64 0.00 3.86 -1.78 -3.20 115.15 115.11 1hfw h HIS 302 Ca 0.19 -0.29 0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1hfw h HIS 302 Cb 0.12 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 1hfw h HIS 302 CO -0.00 1.07 0.42 0.00 0.86 0.00 0.00 177.93 180.28 1hfw h ALA 303 N 0.89 0.82 -0.84 2.45 0.00 -0.53 -2.46 119.26 119.59 1hfw h ALA 303 Ca 0.05 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1hfw h ALA 303 Cb 0.96 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1hfw h ALA 303 CO 0.09 0.25 0.54 -0.09 0.00 0.00 0.00 179.25 180.04 1hfw h ARG 304 N 0.87 1.00 0.04 0.00 2.43 -1.34 -0.89 114.38 116.49 1hfw h ARG 304 Ca 0.24 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1hfw h ARG 304 Cb -0.10 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.23 1hfw h ARG 304 CO -0.05 0.66 -0.02 0.82 -1.51 0.00 0.00 179.97 179.87 1hfw h ILE 305 N 1.03 1.03 -0.46 1.20 1.08 -1.48 -1.67 117.51 118.24 1hfw h ILE 305 Ca 0.34 -0.21 -0.06 0.00 -0.39 0.00 0.00 64.86 64.54 1hfw h ILE 305 Cb 0.03 1.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.93 1hfw h ILE 305 CO -0.12 0.05 0.03 0.25 -0.69 0.00 0.00 178.15 177.67 1hfw h LEU 306 N -0.14 0.70 -0.57 1.44 5.85 -1.22 -2.66 115.31 118.71 1hfw h LEU 306 Ca -0.01 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 1hfw h LEU 306 Cb 0.13 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1hfw h LEU 306 CO 0.01 0.75 0.04 0.25 -0.34 0.00 0.00 178.44 179.15 1hfw h LEU 307 N 0.70 0.94 -0.43 2.25 5.85 -1.01 0.43 115.31 124.04 1hfw h LEU 307 Ca 0.14 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1hfw h LEU 307 Cb 0.39 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1hfw h LEU 307 CO 0.01 1.00 0.25 0.24 -0.34 0.00 0.00 178.44 179.60 1hfw h MET 308 N 0.86 0.59 -0.34 1.25 2.86 -1.12 -1.23 114.93 117.79 1hfw h MET 308 Ca 0.17 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.63 1hfw h MET 308 Cb 0.49 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1hfw h MET 308 CO 0.02 0.44 -0.25 -0.07 1.06 0.00 0.00 176.91 178.11 1hfw h LEU 309 N 0.56 0.71 -1.07 1.22 3.38 -1.33 -2.82 115.31 115.97 1hfw h LEU 309 Ca 0.15 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1hfw h LEU 309 Cb 0.02 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1hfw h LEU 309 CO -0.03 0.93 0.40 0.00 0.09 0.00 0.00 178.44 179.84 1hfw h ALA 310 N 1.12 1.28 0.00 1.53 0.00 -0.57 -1.89 119.26 120.74 1hfw h ALA 310 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1hfw h ALA 310 Cb 0.75 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1hfw h ALA 310 CO 0.06 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.16 1hfw n LEU 311 N -4.35 0.25 -0.22 0.00 4.77 -0.49 -1.67 117.00 115.28 1hfw n LEU 311 Ca 0.08 0.56 0.14 0.00 -0.03 0.00 0.00 56.01 56.76 1hfw n LEU 311 Cb 0.11 -0.53 0.60 0.00 -2.33 0.00 0.00 43.42 41.27 1hfw n LEU 311 CO 0.38 -0.38 0.88 0.35 -1.33 0.00 0.00 177.39 177.28 1hfw n THR 312 N -1.77 0.00 -0.03 -5.08 -2.24 -0.71 -4.13 114.28 100.32 1hfw n THR 312 Ca 0.03 -0.12 -0.04 0.00 -2.27 0.00 0.00 64.05 61.65 1hfw n THR 312 Cb 0.18 0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.48 1hfw n THR 312 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1hfw n ARG 313 N -0.58 0.13 -3.73 -0.78 5.12 -0.67 -5.11 116.66 111.04 1hfw n ARG 313 Ca 0.17 0.03 -0.05 0.00 -1.93 0.00 0.00 57.85 56.07 1hfw n ARG 313 Cb 0.28 -1.05 -0.02 0.00 -1.16 0.00 0.00 32.46 30.51 1hfw n ARG 313 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1hfw s THR 314 N -2.10 0.00 -0.57 0.55 -1.32 -0.82 -5.03 115.64 106.35 1hfw s THR 314 Ca -0.07 -0.60 0.05 0.00 -1.21 0.00 0.00 61.69 59.86 1hfw s THR 314 Cb 0.02 -1.84 0.04 0.00 -1.51 0.00 0.00 72.50 69.21 1hfw s THR 314 CO 0.12 0.00 0.65 -1.20 -2.21 0.00 0.00 174.62 171.97 1hfw n SER 315 N -0.44 1.39 -4.66 8.08 7.64 -1.26 -4.06 113.62 120.31 1hfw n SER 315 Ca -0.06 -1.20 -0.42 0.00 1.01 0.00 0.00 58.87 58.20 1hfw n SER 315 Cb 0.61 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.78 1hfw n SER 315 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1hfw s ASP 316 N -0.39 6.59 0.23 6.43 2.15 -1.26 -4.92 116.67 125.50 1hfw s ASP 316 Ca 0.05 2.38 -0.07 0.00 0.43 0.00 0.00 52.55 55.34 1hfw s ASP 316 Cb 0.04 -2.53 0.30 0.00 -0.30 0.00 0.00 42.92 40.43 1hfw s ASP 316 CO 0.06 -0.98 1.82 -0.65 -0.17 0.00 0.00 175.17 175.26 1hfw h PRO 317 N 9.93 0.79 -0.74 4.34 0.11 -1.99 -1.90 132.00 142.53 1hfw h PRO 317 Ca -0.43 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1hfw h PRO 317 Cb 1.20 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 1hfw h PRO 317 CO 0.95 0.52 0.29 0.87 -0.21 0.00 0.00 178.00 180.42 1hfw h LYS 318 N 0.81 1.12 -0.19 1.05 1.79 -2.00 -1.49 116.57 117.66 1hfw h LYS 318 Ca 0.34 -0.21 -0.06 0.00 -2.18 0.00 0.00 60.65 58.55 1hfw h LYS 318 Cb 0.21 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1hfw h LYS 318 CO -0.19 0.92 -0.09 0.28 -1.08 0.00 0.00 179.45 179.28 1hfw h VAL 319 N 1.08 1.31 -0.80 0.50 2.07 -1.90 -2.77 116.25 115.74 1hfw h VAL 319 Ca 0.25 -1.15 0.03 0.00 0.82 0.00 0.00 66.70 66.64 1hfw h VAL 319 Cb 0.22 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 1hfw h VAL 319 CO -0.02 0.35 0.53 0.40 0.02 0.00 0.00 177.57 178.85 1hfw h ILE 320 N 0.10 1.15 -0.35 4.57 2.04 -1.24 -1.68 117.51 122.10 1hfw h ILE 320 Ca 0.04 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 1hfw h ILE 320 Cb 0.58 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1hfw h ILE 320 CO 0.03 0.18 -0.05 -0.61 0.00 0.00 0.00 178.15 177.71 1hfw h GLN 321 N 1.01 0.57 -0.20 2.37 5.75 -1.17 -2.54 115.11 120.89 1hfw h GLN 321 Ca 0.31 -0.14 -0.15 0.00 -0.15 0.00 0.00 58.65 58.52 1hfw h GLN 321 Cb -0.01 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 1hfw h GLN 321 CO -0.09 0.63 -0.49 0.93 -2.65 0.00 0.00 178.83 177.16 1hfw h GLU 322 N 0.53 0.55 -0.73 1.69 4.39 -1.04 -2.81 114.58 117.16 1hfw h GLU 322 Ca 0.11 -0.31 0.03 0.00 0.34 0.00 0.00 59.36 59.52 1hfw h GLU 322 Cb 0.42 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 1hfw h GLU 322 CO 0.02 0.91 0.46 1.88 -1.16 0.00 0.00 179.01 181.12 1hfw h TYR 323 N 0.43 0.86 0.00 4.33 0.05 -1.01 -1.82 116.97 119.82 1hfw h TYR 323 Ca 0.02 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1hfw h TYR 323 Cb 1.01 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.46 1hfw h TYR 323 CO 0.04 0.50 0.00 0.74 -1.05 0.00 0.00 178.16 178.39 1hfw h PHE 324 N 0.90 0.00 0.00 4.88 -1.00 -1.21 -0.42 116.94 120.09 1hfw h PHE 324 Ca 0.29 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.07 1hfw h PHE 324 Cb 0.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.57 1hfw h PHE 324 CO -0.04 0.00 -1.20 0.72 -1.61 0.00 0.00 178.31 176.18 1hfw n HIS 325 N -2.70 0.14 0.01 -0.55 8.25 -0.73 -4.53 115.22 115.11 1hfw n HIS 325 Ca -0.00 0.04 0.04 0.00 -0.26 0.00 0.00 57.72 57.54 1hfw n HIS 325 Cb 0.18 -0.33 -0.06 0.00 1.12 0.00 0.00 29.99 30.90 1hfw n HIS 325 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1hfw n THR 326 N -1.89 0.00 0.66 1.59 -2.24 -0.89 -5.06 114.28 106.45 1hfw n THR 326 Ca 0.01 -0.20 0.08 0.00 -2.27 0.00 0.00 64.05 61.68 1hfw n THR 326 Cb 0.43 0.34 0.07 0.00 -2.10 0.00 0.00 70.33 69.07 1hfw n THR 326 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28